[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-2-15-5-7-16(8-6-15)18(23)14-26-21(25)17-9-11-22(12-10-17)20(24)19-4-3-13-27-19/h3-8,13,17H,2,9-12,14H2,1H3