2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-pyrimidin-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]cyclohexane-1,3-dione

Systemtic Name: 2-[[5,8-dimethyl-1,1-bis(oxidanylidene)-4-pyrimidin-2-yloxy-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]cyclohexane-1,3-dione Openeye Name: 2-(5,8-dimethyl-1,1-dioxo-4-pyrimidin-2-yloxy-3,4-dihydro-2H-thiochromene-6-carbonyl)cyclohexane-1,3-dione CAS Name: 2-[[5,8-dimethyl-1,1-dioxo-4-(2-pyrimidinyloxy)-3,4-dihydro-2H-1-benzothiopyran-6-yl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(5,8-dimethyl-1,1-dioxo-4-pyrimidin-2-yloxy-3,4-dihydro-2H-thiochromene-6-carbonyl)cyclohexane-1,3-dione Traditional Name: 2-[1,1-diketo-5,8-dimethyl-4-(2-pyrimidyloxy)-3,4-dihydro-2H-thiochromene-6-carbonyl]cyclohexane-1,3-quinone Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)C3C(=O)CCCC3=O)C)C(CCS2(=O)=O)OC4=NC=CC=N4

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)C3C(=O)CCCC3=O)C)C(CCS2(=O)=O)OC4=NC=CC=N4

InChI

InChI=1S/C22H22N2O6S/c1-12-11-14(20(27)19-15(25)5-3-6-16(19)26)13(2)18-17(7-10-31(28,29)21(12)18)30-22-23-8-4-9-24-22/h4,8-9,11,17,19H,3,5-7,10H2,1-2H3