2-(1H-imidazol-5-ylmethyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylphenyl)carbonyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylbenzoyl)-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 2-(1H-imidazol-5-ylmethyl)-1-[(2-methylphenyl)-oxomethyl]-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 2-(1H-imidazol-5-ylmethyl)-1-(2-methylbenzoyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 2-(1H-imidazol-5-ylmethyl)-1-o-toluoyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C(C(CC2(CC3=CN=CN3)C(=O)O)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O5S/c1-13-5-2-3-6-15(13)19(26)25-18(17-7-4-8-31-17)16(20(27)28)10-22(25,21(29)30)9-14-11-23-12-24-14/h2-8,11-12,16,18H,9-10H2,1H3,(H,23,24)(H,27,28)(H,29,30)