4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]butyrate Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)[O-]

InChI

InChI=1S/C15H13N3O3S2/c19-13(20)6-3-7-18-14(21)11(23-15(18)22)8-12-16-9-4-1-2-5-10(9)17-12/h1-2,4-5,8H,3,6-7H2,(H,16,17)(H,19,20)/b11-8-