Molecule Editor

Molecule ID: FYI-1001269 Edit

Molecule Structure SMILES String: OC(=O)CC1=C(C)C(=Cc2ccc(cc2)S(=O)C)c2c1cc(F)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001269
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    7.1441    3.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    1.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -2.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -2.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4798   -1.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690   -2.3347    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4368   -1.5904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279   -0.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279    0.8654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409   -1.9713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -3.1281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152   -3.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8939   -0.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087   -0.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903   -3.4779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2723   -3.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690   -3.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  3  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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  9 32  1  0  0  0  0
 11 33  1  0  0  0  0
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 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 21 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001269-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.3379    1.5290    2.7500 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408    1.6384    1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3533    1.9183    1.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    1.3894    0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    1.0350    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2000   -0.1943    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4456   -1.4689    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671   -0.0682    0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190   -1.0179    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563   -2.4605    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756   -3.0634   -1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5499   -4.3578   -1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2997   -5.0665    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6803   -4.4966    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270   -3.2065    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2950   -6.5722   -0.0901 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.5709   -7.1636   -1.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0891   -7.6098    1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    1.3758    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7154    2.0291    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6319    3.4147    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8195    4.1365    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703    5.4752    0.1292 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638    3.4989    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2661    1.2967    2.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    2.2801   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6138    0.5794   -0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048   -1.2906    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -2.0551    1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4342   -2.0595   -0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6695   -0.7554    0.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1852   -2.5065   -2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2671   -4.7833   -2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942   -5.0027    2.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -2.7525    2.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9197   -7.2038    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1573   -7.7007    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6279   -8.6004    1.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863    3.9459    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    4.1022    0.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1102    1.6129    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  8  9  2  3  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
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M  END
$$$$