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

Systemtic Name: 1-(4-ethylphenyl)carbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-(4-ethylbenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[(4-ethylphenyl)-oxomethyl]-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-(4-ethylbenzoyl)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-(4-ethylbenzoyl)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2C(C(CC2(CC(C)C)C(=O)O)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C23H27NO5S/c1-4-15-7-9-16(10-8-15)20(25)24-19(18-6-5-11-30-18)17(21(26)27)13-23(24,22(28)29)12-14(2)3/h5-11,14,17,19H,4,12-13H2,1-3H3,(H,26,27)(H,28,29)