ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(p-tolylsulfanylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(p-tolylthio)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27NO3S/c1-3-27-23(26)20-12-14-24(15-13-20)22(25)19-8-6-18(7-9-19)16-28-21-10-4-17(2)5-11-21/h4-11,20H,3,12-16H2,1-2H3