methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]isonipecotic acid methyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)CN2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)CN2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H28N2O3S/c1-15-3-5-16(6-4-15)14-25-12-9-20-18(22)13-21-10-7-17(8-11-21)19(23)24-2/h3-6,17H,7-14H2,1-2H3,(H,20,22)