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

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-[(3-methylphenyl)carbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-(m-tolylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[(3-methylanilino)-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-1-[(3-methylphenyl)carbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-1-(m-tolylcarbamoyl)-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C27H28FN3O4S MolecularWeight: 509.592323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FN3O4S/c1-3-35-26(33)21-15-22(25(32)29-16-18-9-11-19(28)12-10-18)31(24(21)23-8-5-13-36-23)27(34)30-20-7-4-6-17(2)14-20/h4-14,21-22,24H,3,15-16H2,1-2H3,(H,29,32)(H,30,34)