ethyl 1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-fluorophenyl)carbamoyl]-5-piperazin-1-ylcarbonyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-[(4-fluorophenyl)carbamoyl]-5-(piperazine-1-carbonyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C23H27FN4O4S MolecularWeight: 474.548283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=C(C=C3)F)C(=O)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=C(C=C3)F)C(=O)N4CCNCC4

InChI

InChI=1S/C23H27FN4O4S/c1-2-32-22(30)17-14-18(21(29)27-11-9-25-10-12-27)28(20(17)19-4-3-13-33-19)23(31)26-16-7-5-15(24)6-8-16/h3-8,13,17-18,20,25H,2,9-12,14H2,1H3,(H,26,31)