4-[2-(methylsulfonylamino)phenyl]-6-(pyridin-3-ylmethoxy)-3-sulfanyl-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-[2-(methylsulfonylamino)phenyl]-6-(pyridin-3-ylmethoxy)-3-sulfanyl-1-benzothiophene-2-carboxylic acid Openeye Name: 4-[2-(methanesulfonamido)phenyl]-6-(3-pyridylmethoxy)-3-sulfanyl-benzothiophene-2-carboxylic acid CAS Name: 3-mercapto-4-[2-(methanesulfonamido)phenyl]-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-[2-(methanesulfonamido)phenyl]-6-(pyridin-3-ylmethoxy)-3-sulfanyl-1-benzothiophene-2-carboxylic acid Traditional Name: 3-mercapto-4-[2-(methanesulfonamido)phenyl]-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid Formula: C22H18N2O5S3 MolecularWeight: 486.58372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C2=CC(=CC3=C2C(=C(S3)C(=O)O)S)OCC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C2=CC(=CC3=C2C(=C(S3)C(=O)O)S)OCC4=CN=CC=C4

InChI

InChI=1S/C22H18N2O5S3/c1-32(27,28)24-17-7-3-2-6-15(17)16-9-14(29-12-13-5-4-8-23-11-13)10-18-19(16)20(30)21(31-18)22(25)26/h2-11,24,30H,12H2,1H3,(H,25,26)