3-(cyanomethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(cyanomethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(cyanomethoxy)-5-methoxy-benzothiophene-2-carboxylic acid CAS Name: 3-(cyanomethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(cyanomethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(cyanomethoxy)-5-methoxy-benzothiophene-2-carboxylic acid Formula: C12H9NO4S MolecularWeight: 263.26916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=C2OCC#N)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=C2OCC#N)C(=O)O

InChI

InChI=1S/C12H9NO4S/c1-16-7-2-3-9-8(6-7)10(17-5-4-13)11(18-9)12(14)15/h2-3,6H,5H2,1H3,(H,14,15)