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

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-3-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-thenoyl)nipecotic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N2O4S/c1-17-14-21(18(2)27(17)20-9-4-3-5-10-20)22(28)16-31-25(30)19-8-6-12-26(15-19)24(29)23-11-7-13-32-23/h3-5,7,9-11,13-14,19H,6,8,12,15-16H2,1-2H3