2-[(6-methoxypyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(6-methoxypyridin-3-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(6-methoxy-3-pyridinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(6-methoxynicotinoyl)amino]-4-(methylthio)butyric acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)C(=O)NC(CCSC)C(=O)O

InChI

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