methyl (2S)-4-methylsulfanyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-(phenylmethyl)piperidin-1-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-24-18(22)17(10-13-25-2)20-19(23)21-11-8-16(9-12-21)14-15-6-4-3-5-7-15/h3-7,16-17H,8-14H2,1-2H3,(H,20,23)/t17-/m0/s1