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

Systemtic Name: 3-(4-chlorophenyl)-1-(3-fluorophenyl)carbonyl-2-methyl-5-(3-nitrophenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1-[(3-fluorophenyl)-oxomethyl]-2-methyl-5-(3-nitrophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-1-(3-fluorobenzoyl)-2-methyl-5-(3-nitrophenyl)-4-(2-thenoyl)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=CS4)C5=CC=C(C=C5)Cl)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=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

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