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

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(4-benzyloxyphenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-1-oxo-3-[(4-phenylmethoxyphenyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(4-phenylmethoxyphenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-[(4-benzoxyphenyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CSC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CSC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C26H32N2O5S/c1-3-32-26(31)21-13-15-28(16-14-21)25(30)24(27-19(2)29)18-34-23-11-9-22(10-12-23)33-17-20-7-5-4-6-8-20/h4-12,21,24H,3,13-18H2,1-2H3,(H,27,29)/t24-/m0/s1