2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-5-thieno[2,3-d]imidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]thieno[2,3-d]imidazole-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]thien[2,3-d]imidazole-5-carboxylic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC(=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC(=C2)C(=O)O

InChI

InChI=1S/C24H22N2O4S/c1-2-3-8-21-25-19-13-20(24(29)30)31-22(19)26(21)14-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23(27)28/h4-7,9-13H,2-3,8,14H2,1H3,(H,27,28)(H,29,30)