(2R)-2-[(5Z)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate

Systemtic Name: (2R)-2-[(5Z)-4-oxidanylidene-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Openeye Name: (2R)-2-[(5Z)-4-oxo-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]butanedioate CAS Name: (2R)-2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanedioate IUPAC Name: (2R)-2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioate Traditional Name: (2R)-2-[(5Z)-4-keto-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]succinate Formula: C13H8N2O5S2-2 MolecularWeight: 336.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C=C2C(=O)N(C(=S)S2)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O5S2/c16-10(17)6-8(12(19)20)15-11(18)9(22-13(15)21)5-7-1-3-14-4-2-7/h1-5,8H,6H2,(H,16,17)(H,19,20)/p-2/b9-5-/t8-/m1/s1