ethyl 1-[2-(phenylmethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(phenylmethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-benzylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(phenylmethylthio)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-benzylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(benzylthio)benzoyl]isonipecotic acid ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

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