methyl (2S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[1-(4-chlorobenzoyl)isonipecotoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN2O4S/c1-26-19(25)16(9-12-27-2)21-17(23)13-7-10-22(11-8-13)18(24)14-3-5-15(20)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,21,23)/t16-/m0/s1