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

Systemtic Name: 3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3,6,6-trimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-3,6,6-trimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(S1)C#N)CC(CC2=O)(C)C

Isomeric SMILES

CC1=C2C(=C(S1)C#N)CC(CC2=O)(C)C

InChI

InChI=1S/C12H13NOS/c1-7-11-8(10(6-13)15-7)4-12(2,3)5-9(11)14/h4-5H2,1-3H3