2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-3-methylsulfonyl-cyclohexan-1-one

Systemtic Name: 2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-propan-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-3-methylsulfonyl-cyclohexan-1-one Openeye Name: 2-(4-isopropoxy-5,8-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-methylsulfonyl-cyclohexanone CAS Name: 2-[(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-methylsulfonyl-1-cyclohexanone IUPAC Name: 2-(5,8-dimethyl-1,1-dioxo-4-propan-2-yloxy-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-methylsulfonylcyclohexan-1-one Traditional Name: 2-(4-isopropoxy-1,1-diketo-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-3-mesyl-cyclohexanone Formula: C22H30O7S2 MolecularWeight: 470.5994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3C(CCCC3=O)S(=O)(=O)C)C)C(CCS2(=O)=O)OC(C)C

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3C(CCCC3=O)S(=O)(=O)C)C)C(CCS2(=O)=O)OC(C)C

InChI

InChI=1S/C22H30O7S2/c1-12(2)29-17-9-10-31(27,28)22-13(3)11-15(14(4)19(17)22)21(24)20-16(23)7-6-8-18(20)30(5,25)26/h11-12,17-18,20H,6-10H2,1-5H3