methyl 4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]butanoate CAS Name: 4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]butanoate Traditional Name: 4-[[2-(phenylthio)nicotinoyl]amino]butyric acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-22-15(20)10-6-11-18-16(21)14-9-5-12-19-17(14)23-13-7-3-2-4-8-13/h2-5,7-9,12H,6,10-11H2,1H3,(H,18,21)