ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]nipecotic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C22H28N2O3S/c1-3-27-22(26)18-6-4-12-24(14-18)15-20(25)23-21(19-7-5-13-28-19)17-10-8-16(2)9-11-17/h5,7-11,13,18,21H,3-4,6,12,14-15H2,1-2H3,(H,23,25)