Molecule FYI-1010744

A

Molecule Summary:

ID: FYI-1010744
Names:
InChIKey: WGHSASCOTQRSNB-UHFFFAOYSA-N
SMILES: O=C1CS(=O)CC(=O)N1c2ccc(N(=O)=O)cc2

Received at FYIcenter.com on: 2024-07-11

Molecule ID: FYI-1010744 Edit

Molecule Structure InChIKey: WGHSASCOTQRSNB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CS(=O)CC(=O)N1c2ccc(N(=O)=O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010744
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2045    5.6021    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    5.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    1.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2687    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2687    3.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    4.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.4005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010744-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    4.4065   -0.1250   -0.2399 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    2.1081    0.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927   -2.2407   -0.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1672    0.4523    0.9169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0268    1.0793   -0.3172 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.0381   -0.9422    0.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068   -0.0572   -0.1053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4247    0.0566    0.0902 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2174    1.1129   -0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -1.3021    0.4326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    1.1308    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861   -1.2739   -0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2334   -0.0278   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091    1.0985   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -1.1265    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3028    1.1269   -0.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152   -1.0985    0.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0060    0.0283    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9677    0.9027   -1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953    2.0965   -0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0550   -1.0769    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514   -2.3033    0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    1.9589   -0.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4119   -2.0077    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079    2.0191   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8297   -1.9701    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

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