5-(4-cyanophenyl)-1-ethanoyl-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-ethanoyl-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-acetyl-5-(4-cyanophenyl)-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-acetyl-5-(4-cyanophenyl)-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-acetyl-5-(4-cyanophenyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4S/c1-15-5-9-19(10-6-15)25(30)22-21(20-4-3-13-33-20)24(26(31)32)28(16(2)29)23(22)18-11-7-17(14-27)8-12-18/h3-13,21-24H,1-2H3,(H,31,32)