ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]isonipecotic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)18-10-12-24(13-11-18)15-20(25)23-21(19-5-4-14-28-19)17-8-6-16(2)7-9-17/h4-9,14,18,21H,3,10-13,15H2,1-2H3,(H,23,25)