1-(3-methylphenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 1-(3-methylphenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-isobutyl-1-(3-methylbenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(3-methylphenyl)-oxomethyl]-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(3-methylbenzoyl)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-isobutyl-1-m-toluoyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C22H25NO5S/c1-13(2)11-22(21(27)28)12-16(20(25)26)18(17-8-5-9-29-17)23(22)19(24)15-7-4-6-14(3)10-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,25,26)(H,27,28)