[6-cyano-2,2-dimethyl-4-[4-(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [6-cyano-2,2-dimethyl-4-[4-(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-1-yl]-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [6-cyano-2,2-dimethyl-4-[4-(methylsulfonyloxymethyl)-2-oxo-1-pyridyl]chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-2,2-dimethyl-4-[4-(methylsulfonyloxymethyl)-2-oxo-1-pyridinyl]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-[4-(methylsulfonyloxymethyl)-2-oxopyridin-1-yl]-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-[2-keto-4-(methylsulfonyloxymethyl)-1-pyridyl]-2,2-dimethyl-chroman-3-yl] ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)COS(=O)(=O)C

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3C=CC(=CC3=O)COS(=O)(=O)C

InChI

InChI=1S/C21H22N2O7S/c1-13(24)29-20-19(16-9-14(11-22)5-6-17(16)30-21(20,2)3)23-8-7-15(10-18(23)25)12-28-31(4,26)27/h5-10,19-20H,12H2,1-4H3