2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C13H10N3O4S3- MolecularWeight: 368.4312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H11N3O4S3/c17-12-10(22-13(21)16(12)5-6-23(18,19)20)7-11-14-8-3-1-2-4-9(8)15-11/h1-4,7H,5-6H2,(H,14,15)(H,18,19,20)/p-1/b10-7+