2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate

Systemtic Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Openeye Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]ethanesulfonate CAS Name: 2-[(5E)-5-[(1-methyl-2-benzimidazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonate IUPAC Name: 2-[(5E)-5-[(1-methylbenzimidazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate Traditional Name: 2-[(5E)-4-keto-5-[(1-methylbenzimidazol-2-yl)methylene]-2-thioxo-thiazolidin-3-yl]ethanesulfonate Formula: C14H12N3O4S3- MolecularWeight: 382.45778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C=C3C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1/C=C/3\C(=O)N(C(=S)S3)CCS(=O)(=O)[O-]

InChI

InChI=1S/C14H13N3O4S3/c1-16-10-5-3-2-4-9(10)15-12(16)8-11-13(18)17(14(22)23-11)6-7-24(19,20)21/h2-5,8H,6-7H2,1H3,(H,19,20,21)/p-1/b11-8+