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

Systemtic Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-[1-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C26H27FN2O4S/c1-17-14-22(18(2)29(17)15-19-5-7-21(27)8-6-19)23(30)16-33-26(32)20-9-11-28(12-10-20)25(31)24-4-3-13-34-24/h3-8,13-14,20H,9-12,15-16H2,1-2H3