2-[1,3-bis(oxidanylidene)-2-pyridin-4-yl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)-2-pyridin-4-yl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid Openeye Name: 2-[2-oxo-1-(4-pyridyl)-2-sulfanyl-1-sulfanylcarbonyl-ethyl]pentanedioic acid CAS Name: 2-(1,3-dimercapto-1,3-dioxo-2-pyridin-4-ylpropan-2-yl)pentanedioic acid IUPAC Name: 2-[1,3-dioxo-2-pyridin-4-yl-1,3-bis(sulfanyl)propan-2-yl]pentanedioic acid Traditional Name: 2-[2-keto-2-mercapto-1-(4-pyridyl)-1-thiocarboxy-ethyl]glutaric acid Formula: C13H13NO6S2 MolecularWeight: 343.37542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(C(CCC(=O)O)C(=O)O)(C(=O)S)C(=O)S

Isomeric SMILES

C1=CN=CC=C1C(C(CCC(=O)O)C(=O)O)(C(=O)S)C(=O)S

InChI

InChI=1S/C13H13NO6S2/c15-9(16)2-1-8(10(17)18)13(11(19)21,12(20)22)7-3-5-14-6-4-7/h3-6,8H,1-2H2,(H,15,16)(H,17,18)(H,19,21)(H,20,22)