1-ethanoyl-6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-ethanoyl-6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-acetyl-6,6-dimethyl-3-[2-(p-tolylsulfonyl)ethylsulfanyl]-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-acetyl-6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylthio]-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-acetyl-6,6-dimethyl-3-[2-(4-methylphenyl)sulfonylethylsulfanyl]-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-acetyl-6,6-dimethyl-3-(2-tosylethylthio)-5,7-dihydroisobenzothiophen-4-one Formula: C21H24O4S3 MolecularWeight: 436.60786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O4S3/c1-13-5-7-15(8-6-13)28(24,25)10-9-26-20-18-16(19(27-20)14(2)22)11-21(3,4)12-17(18)23/h5-8H,9-12H2,1-4H3