[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-methylcyclohexyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-methylcyclohexanecarbonyl)amino]-4-(methylthio)butyric acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H28ClNO4S MolecularWeight: 425.96932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H28ClNO4S/c1-14-3-5-16(6-4-14)20(25)23-18(11-12-28-2)21(26)27-13-19(24)15-7-9-17(22)10-8-15/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,23,25)/t14?,16?,18-/m1/s1