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

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(phenylmethyl)-piperidin-4-yl-amino]butanoate Openeye Name: methyl (2S)-2-[benzyl(4-piperidyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[(phenylmethyl)-(4-piperidinyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl(piperidin-4-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[benzyl(4-piperidyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC1=CC=CC=C1)C2CCNCC2

Isomeric SMILES

COC(=O)[C@H](CCSC)N(CC1=CC=CC=C1)C2CCNCC2

InChI

InChI=1S/C18H28N2O2S/c1-22-18(21)17(10-13-23-2)20(16-8-11-19-12-9-16)14-15-6-4-3-5-7-15/h3-7,16-17,19H,8-14H2,1-2H3/t17-/m0/s1