propan-2-yl 4-methylsulfanyl-2-[[1-(phenylcarbonyl)piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[[1-(phenylcarbonyl)piperidin-4-yl]carbonylamino]butanoate Openeye Name: isopropyl 2-[(1-benzoylpiperidine-4-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(1-benzoyl-4-piperidinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(1-benzoylpiperidine-4-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(1-benzoylisonipecotoyl)amino]-4-(methylthio)butyric acid isopropyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4S/c1-15(2)27-21(26)18(11-14-28-3)22-19(24)16-9-12-23(13-10-16)20(25)17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3,(H,22,24)