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

Systemtic Name: 3-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]propionate Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O3S2/c18-12(19)5-6-17-13(20)10(22-14(17)21)7-11-15-8-3-1-2-4-9(8)16-11/h1-4,7H,5-6H2,(H,15,16)(H,18,19)/b10-7-