methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl(piperidin-4-yl)amino]butanoate hydrochloride

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[phenylcarbonyl(piperidin-4-yl)amino]butanoate hydrochloride Openeye Name: methyl (2S)-2-[benzoyl(4-piperidyl)amino]-4-methylsulfanyl-butanoate hydrochloride CAS Name: (2S)-2-[benzoyl(4-piperidinyl)amino]-4-(methylthio)butanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-[benzoyl(piperidin-4-yl)amino]-4-methylsulfanylbutanoate hydrochloride Traditional Name: (2S)-2-[benzoyl(4-piperidyl)amino]-4-(methylthio)butyric acid methyl ester hydrochloride Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(C1CCNCC1)C(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

COC(=O)[C@H](CCSC)N(C1CCNCC1)C(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H26N2O3S.ClH/c1-23-18(22)16(10-13-24-2)20(15-8-11-19-12-9-15)17(21)14-6-4-3-5-7-14;/h3-7,15-16,19H,8-13H2,1-2H3;1H/t16-;/m0./s1