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

Systemtic Name: 2-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: 2-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetate CAS Name: 2-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetate IUPAC Name: 2-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[(5Z)-5-(1H-benzimidazol-3-ium-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]acetate Formula: C13H9N3O3S2 MolecularWeight: 319.35886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O3S2/c17-11(18)6-16-12(19)9(21-13(16)20)5-10-14-7-3-1-2-4-8(7)15-10/h1-5H,6H2,(H,14,15)(H,17,18)/b9-5-