ethyl (3S)-1-[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-2-phenyl-2-phenylsulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2S)-2-phenyl-2-(phenylthio)acetyl]nipecotic acid ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-2-26-22(25)18-12-9-15-23(16-18)21(24)20(17-10-5-3-6-11-17)27-19-13-7-4-8-14-19/h3-8,10-11,13-14,18,20H,2,9,12,15-16H2,1H3/t18-,20-/m0/s1