3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluoroanilino)-oxomethyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(2-thenoyl)proline Formula: C30H23Cl2FN2O4S MolecularWeight: 597.484023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C30H23Cl2FN2O4S/c1-30(28(37)38)25(17-4-8-19(31)9-5-17)24(27(36)23-3-2-16-40-23)26(18-6-10-20(32)11-7-18)35(30)29(39)34-22-14-12-21(33)13-15-22/h2-16,24-26H,1H3,(H,34,39)(H,37,38)