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

Systemtic Name: 3-ethylsulfanyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 3-ethylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 3-(ethylthio)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 3-ethylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 3-(ethylthio)-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C13H15NOS2 MolecularWeight: 265.3943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C(=C(S1)C#N)CC(CC2=O)(C)C

Isomeric SMILES

CCSC1=C2C(=C(S1)C#N)CC(CC2=O)(C)C

InChI

InChI=1S/C13H15NOS2/c1-4-16-12-11-8(10(7-14)17-12)5-13(2,3)6-9(11)15/h4-6H2,1-3H3