2-[(1-methyl-2-oxidanylidene-pyridin-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(1-methyl-2-oxidanylidene-pyridin-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-methyl-2-oxo-pyridine-4-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-methyl-2-oxo-4-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-keto-1-methyl-isonicotinoyl)amino]-4-(methylthio)butyric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=CC1=O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1C=CC(=CC1=O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-14-5-3-8(7-10(14)15)11(16)13-9(12(17)18)4-6-19-2/h3,5,7,9H,4,6H2,1-2H3,(H,13,16)(H,17,18)