ethyl 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)-3,4-dihydrochromen-4-yl]-2-oxidanylidene-pyridine-4-carboxylate

Systemtic Name: ethyl 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)-3,4-dihydrochromen-4-yl]-2-oxidanylidene-pyridine-4-carboxylate Openeye Name: ethyl 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)chroman-4-yl]-2-oxo-pyridine-4-carboxylate CAS Name: 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-oxo-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)-3,4-dihydrochromen-4-yl]-2-oxopyridine-4-carboxylate Traditional Name: 1-[6-cyano-2,2-dimethyl-3-(methylsulfonyloxymethyl)chroman-4-yl]-2-keto-isonicotinic acid ethyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)COS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)COS(=O)(=O)C

InChI

InChI=1S/C22H24N2O7S/c1-5-29-21(26)15-8-9-24(19(25)11-15)20-16-10-14(12-23)6-7-18(16)31-22(2,3)17(20)13-30-32(4,27)28/h6-11,17,20H,5,13H2,1-4H3