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

Systemtic Name: methyl 6-[(2-prop-2-enylsulfanylpyridin-3-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(2-allylsulfanylpyridine-3-carbonyl)amino]hexanoate CAS Name: 6-[[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-prop-2-enylsulfanylpyridine-3-carbonyl)amino]hexanoate Traditional Name: 6-[[2-(allylthio)nicotinoyl]amino]hexanoic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SCC=C

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SCC=C

InChI

InChI=1S/C16H22N2O3S/c1-3-12-22-16-13(8-7-11-18-16)15(20)17-10-6-4-5-9-14(19)21-2/h3,7-8,11H,1,4-6,9-10,12H2,2H3,(H,17,20)