(4-methylsulfanylphenyl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [4-(methylthio)benzyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)SC

InChI

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