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

Systemtic Name: 1-(4-chlorophenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-(4-chlorobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(4-chlorobenzoyl)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-(4-chlorobenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CS3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H22ClNO5S/c1-12(2)10-21(20(27)28)11-15(19(25)26)17(16-4-3-9-29-16)23(21)18(24)13-5-7-14(22)8-6-13/h3-9,12,15,17H,10-11H2,1-2H3,(H,25,26)(H,27,28)