ethyl 1-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]isonipecotic acid ethyl ester Formula: C20H27ClN2O4S MolecularWeight: 426.95738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H27ClN2O4S/c1-3-27-20(26)14-8-11-23(12-9-14)19(25)17(10-13-28-2)22-18(24)15-6-4-5-7-16(15)21/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,24)