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

Systemtic Name: ethyl 1-(6-cyano-2,2-dimethyl-3-methylsulfonyloxy-3,4-dihydrochromen-4-yl)-2-oxidanylidene-pyridine-4-carboxylate Openeye Name: ethyl 1-(6-cyano-2,2-dimethyl-3-methylsulfonyloxy-chroman-4-yl)-2-oxo-pyridine-4-carboxylate CAS Name: 1-(6-cyano-2,2-dimethyl-3-methylsulfonyloxy-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-methylsulfonyloxy-3,4-dihydrochromen-4-yl)-2-oxopyridine-4-carboxylate Traditional Name: 1-(6-cyano-2,2-dimethyl-3-methylsulfonyloxy-chroman-4-yl)-2-keto-isonicotinic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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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)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-5-28-20(25)14-8-9-23(17(24)11-14)18-15-10-13(12-22)6-7-16(15)29-21(2,3)19(18)30-31(4,26)27/h6-11,18-19H,5H2,1-4H3