(2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butanoic acid

Systemtic Name: (2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butanoic acid Openeye Name: (2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butanoic acid CAS Name: (2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butanoic acid IUPAC Name: (2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butanoic acid Traditional Name: (2E)-2-(4,5-dihydrothieno[2,3-f][1,4]thiazepin-8-ylidene)butyric acid Formula: C11H13NO2S2 MolecularWeight: 255.35642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1CSC2=C1SC=CNC2)C(=O)O

Isomeric SMILES

CC/C(=C\1/CSC2=C1SC=CNC2)/C(=O)O

InChI

InChI=1S/C11H13NO2S2/c1-2-7(11(13)14)8-6-16-9-5-12-3-4-15-10(8)9/h3-4,12H,2,5-6H2,1H3,(H,13,14)/b8-7+