methyl 2-[(4-fluorophenyl)methylcarbamoyl]-4-(4-nitrophenyl)carbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-4-(4-nitrophenyl)carbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-4-(4-nitrobenzoyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxylate CAS Name: 2-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-[(4-nitrophenyl)-oxomethyl]-3,5-dithiophen-2-yl-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-4-(4-nitrobenzoyl)-3,5-dithiophen-2-ylpyrrolidine-1-carboxylate Traditional Name: 2-[(4-fluorobenzyl)carbamoyl]-4-(4-nitrobenzoyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxylic acid methyl ester Formula: C29H24FN3O6S2 MolecularWeight: 593.645763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

COC(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C29H24FN3O6S2/c1-39-29(36)32-25(22-5-3-15-41-22)24(27(34)18-8-12-20(13-9-18)33(37)38)23(21-4-2-14-40-21)26(32)28(35)31-16-17-6-10-19(30)11-7-17/h2-15,23-26H,16H2,1H3,(H,31,35)