Molecule FYI-1016162

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Molecule Summary:

ID: FYI-1016162
Names:
InChIKey: ZCITVSIKDJSWSS-UHFFFAOYSA-N
SMILES: O=C1CSCC(C(=O)O)N1

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016162 Edit

Molecule Structure InChIKey: ZCITVSIKDJSWSS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CSCC(C(=O)O)N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016162
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016162-3D
FYIcenter.com

 17 17  0     1  0  0  0  0  0999 V2000
   -1.4168   -1.9847    0.3977 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.4360    0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910    1.5945    0.2022 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -0.5218   -0.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    0.8676   -0.0263 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -0.1969   -0.3774 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3283   -1.4421    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1482   -0.6449   -0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919    0.7039   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0352    0.1885   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4994   -0.3854   -1.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9524   -2.2786    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5704   -1.2662    1.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    1.7702    0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2370   -0.7087   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.7590   -1.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284    1.7040    0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

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