[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C21H29ClN2O4S/c1-14-5-4-6-15(2)24(14)19(25)13-28-21(27)18(11-12-29-3)23-20(26)16-7-9-17(22)10-8-16/h7-10,14-15,18H,4-6,11-13H2,1-3H3,(H,23,26)