[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H26N2O4S/c1-4-23-14(2)12-17(15(23)3)18(24)13-27-21(26)16-7-9-22(10-8-16)20(25)19-6-5-11-28-19/h5-6,11-12,16H,4,7-10,13H2,1-3H3