1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 1-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophen-4-one Formula: C20H20O6S2 MolecularWeight: 420.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C20H20O6S2/c1-20(2)9-12-16(13(21)10-20)19(28(3,23)24)27-18(12)17(22)11-4-5-14-15(8-11)26-7-6-25-14/h4-5,8H,6-7,9-10H2,1-3H3