3,5-bis(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(4-fluorobenzoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(4-fluorobenzoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(4-fluorobenzoyl)-4-(2-thenoyl)proline Formula: C31H20FN3O4S MolecularWeight: 549.571603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CSC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H20FN3O4S/c32-23-13-11-22(12-14-23)30(37)35-27(21-9-5-19(17-34)6-10-21)26(29(36)24-2-1-15-40-24)25(28(35)31(38)39)20-7-3-18(16-33)4-8-20/h1-15,25-28H,(H,38,39)