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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C19H27NO3S/c1-15-7-9-17(10-8-15)24-12-11-19(22)23-14-18(21)20-13-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H,20,21)