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

Systemtic Name: [1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-6-oxidanylidene-pyridin-3-yl]methyl methanesulfonate Openeye Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-6-oxo-3-pyridyl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-6-oxo-3-pyridinyl]methyl ester IUPAC Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-oxopyridin-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-6-keto-3-pyridyl]methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)COS(=O)(=O)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)COS(=O)(=O)C)O)C

InChI

InChI=1S/C19H20N2O6S/c1-19(2)18(23)17(14-8-12(9-20)4-6-15(14)27-19)21-10-13(5-7-16(21)22)11-26-28(3,24)25/h4-8,10,17-18,23H,11H2,1-3H3