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

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(4-isopropylphenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-1-oxo-3-[(4-propan-2-ylphenyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(4-propan-2-ylphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-(p-cumenylthio)propanoyl]isonipecotic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4S/c1-5-28-22(27)18-10-12-24(13-11-18)21(26)20(23-16(4)25)14-29-19-8-6-17(7-9-19)15(2)3/h6-9,15,18,20H,5,10-14H2,1-4H3,(H,23,25)/t20-/m0/s1