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

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(2-thenoyl)proline Formula: C32H23FN4O4S MolecularWeight: 578.612823

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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)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C32H23FN4O4S/c1-32(30(39)40)27(21-8-4-19(17-34)5-9-21)26(29(38)25-3-2-16-42-25)28(22-10-6-20(18-35)7-11-22)37(32)31(41)36-24-14-12-23(33)13-15-24/h2-16,26-28H,1H3,(H,36,41)(H,39,40)