1-(4-cyanophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 1-(4-cyanophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-(4-cyanobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(4-cyanophenyl)-oxomethyl]-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(4-cyanobenzoyl)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-(4-cyanobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-13(2)10-22(21(28)29)11-16(20(26)27)18(17-4-3-9-30-17)24(22)19(25)15-7-5-14(12-23)6-8-15/h3-9,13,16,18H,10-11H2,1-2H3,(H,26,27)(H,28,29)