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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3-pyridin-4-yl-1,4-bis(sulfanyl)butan-2-yl]pentanedioic acid Openeye Name: 2-[3-oxo-2-(4-pyridyl)-3-sulfanyl-1-sulfanylcarbonyl-propyl]pentanedioic acid CAS Name: 2-(1,4-dimercapto-1,4-dioxo-3-pyridin-4-ylbutan-2-yl)pentanedioic acid IUPAC Name: 2-[1,4-dioxo-3-pyridin-4-yl-1,4-bis(sulfanyl)butan-2-yl]pentanedioic acid Traditional Name: 2-[3-keto-3-mercapto-2-(4-pyridyl)-1-thiocarboxy-propyl]glutaric acid Formula: C14H15NO6S2 MolecularWeight: 357.402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6S2/c16-9(17)2-1-8(12(18)19)11(14(21)23)10(13(20)22)7-3-5-15-6-4-7/h3-6,8,10-11H,1-2H2,(H,16,17)(H,18,19)(H,20,22)(H,21,23)