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

Systemtic Name: ethyl 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 6,6-dimethyl-4-oxo-3-[2-(p-tolylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylthio]-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-6,6-dimethyl-3-(2-tosylethylthio)-5,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C22H26O5S3 MolecularWeight: 466.63384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=C(C=C3)C)(C)C

Isomeric SMILES

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCCS(=O)(=O)C3=CC=C(C=C3)C)(C)C

InChI

InChI=1S/C22H26O5S3/c1-5-27-20(24)19-16-12-22(3,4)13-17(23)18(16)21(29-19)28-10-11-30(25,26)15-8-6-14(2)7-9-15/h6-9H,5,10-13H2,1-4H3