methyl 1-(2-methylsulfanylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(2-methylsulfanylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(methylthio)benzoyl]isonipecotic acid methyl ester Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SC

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C15H19NO3S/c1-19-15(18)11-7-9-16(10-8-11)14(17)12-5-3-4-6-13(12)20-2/h3-6,11H,7-10H2,1-2H3