3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(cyanomethyl)-2,3-dihydrobenzothiophene-2-carboxylic acid CAS Name: 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-(cyanomethyl)-2,3-dihydro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(cyanomethyl)-2,3-dihydrobenzothiophene-2-carboxylic acid Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(S2)C(=O)O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(C(S2)C(=O)O)CC#N

InChI

InChI=1S/C11H9NO2S/c12-6-5-8-7-3-1-2-4-9(7)15-10(8)11(13)14/h1-4,8,10H,5H2,(H,13,14)