6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 6,6-dimethyl-4-oxo-3-[2-(p-tolylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylthio]-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-6,6-dimethyl-3-(2-tosylethylthio)-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C20H21NO3S3 MolecularWeight: 419.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C3C(=C(S2)C#N)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C3C(=C(S2)C#N)CC(CC3=O)(C)C

InChI

InChI=1S/C20H21NO3S3/c1-13-4-6-14(7-5-13)27(23,24)9-8-25-19-18-15(17(12-21)26-19)10-20(2,3)11-16(18)22/h4-7H,8-11H2,1-3H3