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

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(4-fluorobenzoyl)-3-(2-thienyl)proline Formula: C30H20ClFN2O4S MolecularWeight: 559.007203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)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=CS5

Isomeric SMILES

C1=CC(=CC(=C1)Cl)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=CS5

InChI

InChI=1S/C30H20ClFN2O4S/c31-21-4-1-3-20(15-21)28(35)25-24(23-5-2-14-39-23)27(30(37)38)34(29(36)19-10-12-22(32)13-11-19)26(25)18-8-6-17(16-33)7-9-18/h1-15,24-27H,(H,37,38)