3-[4-(2-cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)phenyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[4-(2-cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)phenyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[4-(2-cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)phenyl]benzothiophene-2-carboxylic acid CAS Name: 3-[4-(2-cyclopropyl-5,7-dimethyl-3-imidazo[4,5-b]pyridinyl)phenyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[4-(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[4-(2-cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl)phenyl]benzothiophene-2-carboxylic acid Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1N=C(N2C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)C(=O)O)C6CC6)C

Isomeric SMILES

CC1=CC(=NC2=C1N=C(N2C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)C(=O)O)C6CC6)C

InChI

InChI=1S/C26H21N3O2S/c1-14-13-15(2)27-25-22(14)28-24(17-7-8-17)29(25)18-11-9-16(10-12-18)21-19-5-3-4-6-20(19)32-23(21)26(30)31/h3-6,9-13,17H,7-8H2,1-2H3,(H,30,31)