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

Systemtic Name: 3,3-dimethyl-2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid CAS Name: 3,3-dimethyl-2-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid Traditional Name: 3,3-dimethyl-2-[[2-(methylthio)nicotinoyl]amino]butyric acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-13(2,3)9(12(17)18)15-10(16)8-6-5-7-14-11(8)19-4/h5-7,9H,1-4H3,(H,15,16)(H,17,18)