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

Systemtic Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluoroanilino)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-chlorophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(2-thenoyl)proline Formula: C29H21Cl2FN2O4S MolecularWeight: 583.457443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H21Cl2FN2O4S/c30-18-7-3-16(4-8-18)23-24(27(35)22-2-1-15-39-22)25(17-5-9-19(31)10-6-17)34(26(23)28(36)37)29(38)33-21-13-11-20(32)12-14-21/h1-15,23-26H,(H,33,38)(H,36,37)