[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H27NO4S/c1-3-16-7-8-17(4-2)19(14-16)20(25)15-28-23(27)18-9-11-24(12-10-18)22(26)21-6-5-13-29-21/h5-8,13-14,18H,3-4,9-12,15H2,1-2H3