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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(CSC2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)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)21-10-7-15-28(16-21)25(30)24(27-19(2)29)18-34-23-13-11-22(12-14-23)33-17-20-8-5-4-6-9-20/h4-6,8-9,11-14,21,24H,3,7,10,15-18H2,1-2H3,(H,27,29)/t21-,24-/m0/s1