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

Systemtic Name: ethyl 1-(4-tert-butylphenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(4-tert-butylbenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(2-thienyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C30H33FN2O4S MolecularWeight: 536.657423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33FN2O4S/c1-5-37-29(36)23-17-24(27(34)32-18-19-8-14-22(31)15-9-19)33(26(23)25-7-6-16-38-25)28(35)20-10-12-21(13-11-20)30(2,3)4/h6-16,23-24,26H,5,17-18H2,1-4H3,(H,32,34)