ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(p-tolylmethylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-methylbenzyl)thio]acetyl]isonipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H25NO3S/c1-3-22-18(21)16-8-10-19(11-9-16)17(20)13-23-12-15-6-4-14(2)5-7-15/h4-7,16H,3,8-13H2,1-2H3