3-[2-(hydroxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[2-(hydroxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[2-(hydroxymethyl)phenyl]sulfinyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid CAS Name: 3-[2-(hydroxymethyl)phenyl]sulfinyl-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[2-(hydroxymethyl)phenyl]sulfinyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(2-methylolphenyl)sulfinyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid Formula: C22H17NO5S2 MolecularWeight: 439.50408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CO)S(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CO)S(=O)C2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H17NO5S2/c24-12-15-5-1-2-6-19(15)30(27)21-17-8-7-16(10-18(17)29-20(21)22(25)26)28-13-14-4-3-9-23-11-14/h1-11,24H,12-13H2,(H,25,26)