3-(2-hydroxyphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(2-hydroxyphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(2-hydroxyphenyl)sulfanyl-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid CAS Name: 3-[(2-hydroxyphenyl)thio]-6-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(2-hydroxyphenyl)sulfanyl-6-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(2-hydroxyphenyl)thio]-6-(3-pyridylmethoxy)benzothiophene-2-carboxylic acid Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)O)SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)O)SC2=C(SC3=C2C=CC(=C3)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H15NO4S2/c23-16-5-1-2-6-17(16)27-19-15-8-7-14(10-18(15)28-20(19)21(24)25)26-12-13-4-3-9-22-11-13/h1-11,23H,12H2,(H,24,25)