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

Systemtic Name: ethyl 1-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(o-tolylmethylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2-methylphenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2-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=CC=C2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC2=CC=CC=C2C

InChI

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