[1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-5-methyl-4-methylsulfonyloxy-6-oxidanylidene-pyridin-3-yl] methanesulfonate

Systemtic Name: [1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-5-methyl-4-methylsulfonyloxy-6-oxidanylidene-pyridin-3-yl] methanesulfonate Openeye Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-5-methyl-4-methylsulfonyloxy-6-oxo-3-pyridyl] methanesulfonate CAS Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-5-methyl-4-methylsulfonyloxy-6-oxo-3-pyridinyl] ester IUPAC Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-5-methyl-4-methylsulfonyloxy-6-oxopyridin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-6-keto-5-methyl-4-methylsulfonyloxy-3-pyridyl] ester Formula: C20H22N2O9S2 MolecularWeight: 498.52668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN(C1=O)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CN(C1=O)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C20H22N2O9S2/c1-11-17(31-33(5,27)28)15(30-32(4,25)26)10-22(19(11)24)16-13-8-12(9-21)6-7-14(13)29-20(2,3)18(16)23/h6-8,10,16,18,23H,1-5H3