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

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-3-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-[(4-chlorophenyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CSC2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CSC2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C19H25ClN2O4S/c1-3-26-19(25)14-8-10-22(11-9-14)18(24)17(21-13(2)23)12-27-16-6-4-15(20)5-7-16/h4-7,14,17H,3,8-12H2,1-2H3,(H,21,23)/t17-/m0/s1