6-(imidazo[4,5-c]pyridin-1-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 6-(imidazo[4,5-c]pyridin-1-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylic acid Openeye Name: 6-(imidazo[4,5-c]pyridin-1-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-benzothiophene-2-carboxylic acid CAS Name: 6-(1-imidazo[4,5-c]pyridinylmethyl)-3-[(3-methoxyphenyl)thio]-1-benzothiophene-2-carboxylic acid IUPAC Name: 6-(imidazo[4,5-c]pyridin-1-ylmethyl)-3-(3-methoxyphenyl)sulfanyl-1-benzothiophene-2-carboxylic acid Traditional Name: 6-(imidazo[4,5-c]pyridin-1-ylmethyl)-3-[(3-methoxyphenyl)thio]benzothiophene-2-carboxylic acid Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=C(SC3=C2C=CC(=C3)CN4C=NC5=C4C=CN=C5)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)SC2=C(SC3=C2C=CC(=C3)CN4C=NC5=C4C=CN=C5)C(=O)O

InChI

InChI=1S/C23H17N3O3S2/c1-29-15-3-2-4-16(10-15)30-21-17-6-5-14(9-20(17)31-22(21)23(27)28)12-26-13-25-18-11-24-8-7-19(18)26/h2-11,13H,12H2,1H3,(H,27,28)