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

Systemtic Name: methyl 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(p-tolylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)acetyl]isonipecotic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-12-3-5-14(6-4-12)21-11-15(18)17-9-7-13(8-10-17)16(19)20-2/h3-6,13H,7-11H2,1-2H3