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

Systemtic Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: (2R)-2-[(5E)-5-(1H-benzimidazol-2-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C=C/3\C(=O)N(C(=S)S3)[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H13N3O5S2/c20-13(21)6-5-10(15(23)24)19-14(22)11(26-16(19)25)7-12-17-8-3-1-2-4-9(8)18-12/h1-4,7,10H,5-6H2,(H,17,18)(H,20,21)(H,23,24)/b11-7+/t10-/m1/s1