4-[methyl-(2-methylsulfanylpyridin-3-yl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(2-methylsulfanylpyridin-3-yl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid CAS Name: 4-[methyl-[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid Traditional Name: 4-[methyl-[2-(methylthio)nicotinoyl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C12H16N2O3S/c1-14(8-4-6-10(15)16)12(17)9-5-3-7-13-11(9)18-2/h3,5,7H,4,6,8H2,1-2H3,(H,15,16)