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

Systemtic Name: 5-(4-cyanophenyl)-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-3-(4-fluorophenyl)-4-[(3-methylphenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-3-(4-fluorophenyl)-4-m-toluoyl-1-(2-thenoyl)proline Formula: C31H23FN2O4S MolecularWeight: 538.588723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H23FN2O4S/c1-18-4-2-5-22(16-18)29(35)26-25(20-11-13-23(32)14-12-20)28(31(37)38)34(30(36)24-6-3-15-39-24)27(26)21-9-7-19(17-33)8-10-21/h2-16,25-28H,1H3,(H,37,38)