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

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H24BrFN2O4S MolecularWeight: 559.447163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H24BrFN2O4S/c1-2-34-26(33)20-14-21(24(31)29-15-16-8-10-19(28)11-9-16)30(23(20)22-7-4-12-35-22)25(32)17-5-3-6-18(27)13-17/h3-13,20-21,23H,2,14-15H2,1H3,(H,29,31)