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

Systemtic Name: ethyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H31FN2O4S MolecularWeight: 486.598743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN2O4S/c1-2-33-26(32)20-15-21(24(30)28-16-17-10-12-19(27)13-11-17)29(23(20)22-9-6-14-34-22)25(31)18-7-4-3-5-8-18/h6,9-14,18,20-21,23H,2-5,7-8,15-16H2,1H3,(H,28,30)