ethyl (3S)-1-[(2R)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-2-acetamido-3-(4-methylphenyl)sulfanyl-propanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-2-acetamido-3-(p-tolylsulfanyl)propanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2R)-2-acetamido-3-[(4-methylphenyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2R)-2-acetamido-3-(p-tolylthio)propanoyl]nipecotic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CSC2=CC=C(C=C2)C)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](CSC2=CC=C(C=C2)C)NC(=O)C

InChI

InChI=1S/C20H28N2O4S/c1-4-26-20(25)16-6-5-11-22(12-16)19(24)18(21-15(3)23)13-27-17-9-7-14(2)8-10-17/h7-10,16,18H,4-6,11-13H2,1-3H3,(H,21,23)/t16-,18-/m0/s1