2-[3-(2-hydroxyethyl)-2-oxidanylidene-4-pyridin-3-ylcarbonylsulfanyl-azetidin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-(2-hydroxyethyl)-2-oxidanylidene-4-pyridin-3-ylcarbonylsulfanyl-azetidin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(2-hydroxyethyl)-2-oxo-4-(pyridine-3-carbonylsulfanyl)azetidin-1-yl]-2-oxo-acetic acid CAS Name: 2-[3-(2-hydroxyethyl)-2-oxo-4-[[oxo(3-pyridinyl)methyl]thio]-1-azetidinyl]-2-oxoacetic acid IUPAC Name: 2-[3-(2-hydroxyethyl)-2-oxo-4-(pyridine-3-carbonylsulfanyl)azetidin-1-yl]-2-oxoacetic acid Traditional Name: 2-[3-(2-hydroxyethyl)-2-keto-4-(nicotinoylthio)azetidin-1-yl]-2-keto-acetic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)SC2C(C(=O)N2C(=O)C(=O)O)CCO

Isomeric SMILES

C1=CC(=CN=C1)C(=O)SC2C(C(=O)N2C(=O)C(=O)O)CCO

InChI

InChI=1S/C13H12N2O6S/c16-5-3-8-9(17)15(10(18)12(19)20)11(8)22-13(21)7-2-1-4-14-6-7/h1-2,4,6,8,11,16H,3,5H2,(H,19,20)