[4-[4,5-bis(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [4-[4,5-bis(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-[4,5-bis(methylsulfonyloxymethyl)-2-oxo-1-pyridyl]-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [4-[4,5-bis(methylsulfonyloxymethyl)-2-oxo-1-pyridinyl]-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-[4,5-bis(methylsulfonyloxymethyl)-2-oxopyridin-1-yl]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [6-cyano-4-[2-keto-4,5-bis(methylsulfonyloxymethyl)-1-pyridyl]-2,2-dimethyl-chroman-3-yl] ester Formula: C23H26N2O10S2 MolecularWeight: 554.58994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O10S2/c1-14(26)34-22-21(18-8-15(10-24)6-7-19(18)35-23(22,2)3)25-11-17(13-33-37(5,30)31)16(9-20(25)27)12-32-36(4,28)29/h6-9,11,21-22H,12-13H2,1-5H3