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

Systemtic Name: 2-[(5Z)-4-oxidanylidene-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5Z)-4-oxo-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5Z)-4-oxo-5-(3-pyridinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5Z)-4-keto-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C14H12N2O5S2 MolecularWeight: 352.38548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C14H12N2O5S2/c17-11(18)4-3-9(13(20)21)16-12(19)10(23-14(16)22)6-8-2-1-5-15-7-8/h1-2,5-7,9H,3-4H2,(H,17,18)(H,20,21)/b10-6-