6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S2/c1-12(2)4-7-9(6-13)17-11(18(3,15)16)10(7)8(14)5-12/h4-5H2,1-3H3