(2R)-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate

Systemtic Name: (2R)-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Openeye Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanedioate CAS Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanedioate IUPAC Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Traditional Name: (2R)-2-[(5E)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]succinate Formula: C12H8N2O5S2-2 MolecularWeight: 324.33232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CNC(=C1)/C=C/2\C(=O)N(C(=S)S2)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H10N2O5S2/c15-9(16)5-7(11(18)19)14-10(17)8(21-12(14)20)4-6-2-1-3-13-6/h1-4,7,13H,5H2,(H,15,16)(H,18,19)/p-2/b8-4+/t7-/m1/s1