[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-methylphenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C19H24N2O3S/c1-14-8-4-5-9-16(14)25-12-17(22)24-15(2)18(23)21-19(13-20)10-6-3-7-11-19/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H,21,23)