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

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(3-chloro-4-methyl-phenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-3-[(3-chloro-4-methylphenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(3-chloro-4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-[(3-chloro-4-methyl-phenyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C20H27ClN2O4S MolecularWeight: 426.95738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O4S/c1-4-27-20(26)15-7-9-23(10-8-15)19(25)18(22-14(3)24)12-28-16-6-5-13(2)17(21)11-16/h5-6,11,15,18H,4,7-10,12H2,1-3H3,(H,22,24)/t18-/m0/s1