ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)-1-(2-thenoyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C27H26FN3O7S MolecularWeight: 555.574643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H26FN3O7S/c1-3-38-27(34)19-14-21(25(32)29-15-16-6-9-18(28)10-7-16)30(26(33)23-5-4-12-39-23)24(19)17-8-11-22(37-2)20(13-17)31(35)36/h4-13,19,21,24H,3,14-15H2,1-2H3,(H,29,32)