[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C19H27NO3S/c1-14-3-7-16(8-4-14)20-18(21)13-23-19(22)11-12-24-17-9-5-15(2)6-10-17/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H,20,21)