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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S2/c17-11(18)2-1-9(13(20)21)16-12(19)10(23-14(16)22)7-8-3-5-15-6-4-8/h3-7,9H,1-2H2,(H,17,18)(H,20,21)/b10-7+