6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfonyl-1-benzothiophene-2-carboxylate

Systemtic Name: 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfonyl-1-benzothiophene-2-carboxylate Openeye Name: 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfonyl-benzothiophene-2-carboxylate CAS Name: 6-(3-imidazo[4,5-c]pyridinylmethyl)-3-(3-methoxyphenyl)sulfonyl-1-benzothiophene-2-carboxylate IUPAC Name: 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfonyl-1-benzothiophene-2-carboxylate Traditional Name: 6-(imidazo[4,5-c]pyridin-3-ylmethyl)-3-(3-methoxyphenyl)sulfonyl-benzothiophene-2-carboxylate Formula: C23H16N3O5S2- MolecularWeight: 478.52024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)C2=C(SC3=C2C=CC(=C3)CN4C=NC5=C4C=NC=C5)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)C2=C(SC3=C2C=CC(=C3)CN4C=NC5=C4C=NC=C5)C(=O)[O-]

InChI

InChI=1S/C23H17N3O5S2/c1-31-15-3-2-4-16(10-15)33(29,30)22-17-6-5-14(9-20(17)32-21(22)23(27)28)12-26-13-25-18-7-8-24-11-19(18)26/h2-11,13H,12H2,1H3,(H,27,28)/p-1