ethyl 1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclopropyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclopropanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3CC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3CC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O4S/c1-2-30-23(29)17-12-18(21(27)25-13-14-5-9-16(24)10-6-14)26(22(28)15-7-8-15)20(17)19-4-3-11-31-19/h3-6,9-11,15,17-18,20H,2,7-8,12-13H2,1H3,(H,25,27)