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

Systemtic Name: methyl 1-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(p-tolylmethylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-methylbenzyl)thio]acetyl]isonipecotic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-13-3-5-14(6-4-13)11-22-12-16(19)18-9-7-15(8-10-18)17(20)21-2/h3-6,15H,7-12H2,1-2H3