3-cyano-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Systemtic Name: 3-cyano-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid Openeye Name: 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid CAS Name: 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid IUPAC Name: 3-cyano-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid Traditional Name: 3-cyano-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)C#N)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)C#N)C(=O)O)C

InChI

InChI=1S/C12H11NO3S/c1-12(2)3-6-9(7(14)4-12)8(5-13)17-10(6)11(15)16/h3-4H2,1-2H3,(H,15,16)