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

Systemtic Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(1-cyanoethoxy)-5-methoxy-benzothiophene-2-carboxylic acid CAS Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(1-cyanoethoxy)-5-methoxy-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(1-cyanoethoxy)-5-methoxy-benzothiophene-2-carboxylic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C#N)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-7(6-14)18-11-9-5-8(17-2)3-4-10(9)19-12(11)13(15)16/h3-5,7H,1-2H3,(H,15,16)