4-(3-chlorophenyl)carbonyl-1-(3-fluorophenyl)carbonyl-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-1-(3-fluorophenyl)carbonyl-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-1-[(3-fluorophenyl)-oxomethyl]-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-3-(2-thienyl)proline Formula: C30H22ClFN2O6S MolecularWeight: 593.021883

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2=CC(=CC=C2)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2=CC(=CC=C2)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C30H22ClFN2O6S/c1-30(29(37)38)25(23-12-5-13-41-23)24(27(35)18-7-2-9-20(31)14-18)26(17-6-4-11-22(16-17)34(39)40)33(30)28(36)19-8-3-10-21(32)15-19/h2-16,24-26H,1H3,(H,37,38)