Molecule Editor

Molecule ID: FYI-1015328 Edit

Molecule Structure InChIKey: IDPKIJIDNGNVEF-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c2sc(c1cccc(OC)c1F)cc2N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015328
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.2835    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    3.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586    5.8225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462    3.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3672    4.2919    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    3.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4998    2.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5402    1.3934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2492    0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8717    1.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    4.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    0.9863    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015328-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.2837    1.6894    2.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6909    1.5873    1.9556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0608    0.9161    0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783    0.4167    0.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023    0.8943    0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5036    0.9282    2.0930 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9534    0.8614    1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2639    0.8719    1.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    1.6156    3.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184    1.6079    3.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7695    0.8656    3.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5960    0.1281    1.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7180   -0.5430    1.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6213   -1.3065    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3432    0.1358    1.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1476   -0.5757    0.2093 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6661    0.7655   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    0.7884   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6996    0.7507   -1.7628 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899    1.7095   -2.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0371   -0.1990   -2.4793 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1229    2.2342    3.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378    0.6955    2.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8173    2.2523    1.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6815    2.2173    3.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8659    2.1816    4.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7349    0.8622    3.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5969   -1.7668    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3935   -0.6668   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904   -2.1149    0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260    0.7014   -0.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
$$$$