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

Systemtic Name: (2R)-2-[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: (2R)-2-[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: (2R)-2-[(5E)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S2/c16-10(17)4-3-8(12(19)20)15-11(18)9(22-13(15)21)6-7-2-1-5-14-7/h1-2,5-6,8,14H,3-4H2,(H,16,17)(H,19,20)/b9-6+/t8-/m1/s1