ethyl 4-[2-(4-methylphenyl)sulfanylphenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methylphenyl)sulfanylphenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: ethyl 4-hydroxy-4-[2-(p-tolylsulfanyl)phenyl]piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[2-[(4-methylphenyl)thio]phenyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[2-(4-methylphenyl)sulfanylphenyl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-4-[2-(p-tolylthio)phenyl]piperidine-1-carboxylic acid ethyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)C)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H25NO3S/c1-3-25-20(23)22-14-12-21(24,13-15-22)18-6-4-5-7-19(18)26-17-10-8-16(2)9-11-17/h4-11,24H,3,12-15H2,1-2H3