methyl 6-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(2-phenylsulfanylpyridine-3-carbonyl)amino]hexanoate CAS Name: 6-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-phenylsulfanylpyridine-3-carbonyl)amino]hexanoate Traditional Name: 6-[[2-(phenylthio)nicotinoyl]amino]hexanoic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-24-17(22)12-6-3-7-13-20-18(23)16-11-8-14-21-19(16)25-15-9-4-2-5-10-15/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,23)