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

Systemtic Name: 6,6-dimethyl-1-(4-methylphenyl)carbonyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 6,6-dimethyl-1-(4-methylbenzoyl)-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one CAS Name: 6,6-dimethyl-1-[(4-methylphenyl)-oxomethyl]-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 6,6-dimethyl-1-(4-methylbenzoyl)-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-mesyl-6,6-dimethyl-1-p-toluoyl-5,7-dihydroisobenzothiophen-4-one Formula: C19H20O4S2 MolecularWeight: 376.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3CC(CC(=O)C3=C(S2)S(=O)(=O)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3CC(CC(=O)C3=C(S2)S(=O)(=O)C)(C)C

InChI

InChI=1S/C19H20O4S2/c1-11-5-7-12(8-6-11)16(21)17-13-9-19(2,3)10-14(20)15(13)18(24-17)25(4,22)23/h5-8H,9-10H2,1-4H3