3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(2-methoxyacetyl)-4-(2-thenoyl)proline Formula: C25H21ClFNO5S MolecularWeight: 501.954343

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H21ClFNO5S/c1-33-13-19(29)28-22(15-6-10-17(27)11-7-15)21(24(30)18-3-2-12-34-18)20(23(28)25(31)32)14-4-8-16(26)9-5-14/h2-12,20-23H,13H2,1H3,(H,31,32)