3-methyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C12H16N2O3S/c1-7(2)9(12(16)17)14-10(15)8-5-4-6-13-11(8)18-3/h4-7,9H,1-3H3,(H,14,15)(H,16,17)