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

Systemtic Name: methyl 1-(3-bromophenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C31H26BrFN2O4S MolecularWeight: 621.516543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C31H26BrFN2O4S/c1-39-31(38)26-25(20-7-3-2-4-8-20)28(29(36)34-18-19-12-14-23(33)15-13-19)35(27(26)24-11-6-16-40-24)30(37)21-9-5-10-22(32)17-21/h2-17,25-28H,18H2,1H3,(H,34,36)