2-[(2-methylsulfanylpyridin-3-yl)carbonylamino]hexanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-3-4-7-10(13(17)18)15-11(16)9-6-5-8-14-12(9)19-2/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)