ethyl 2-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridyl)-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carboxylate CAS Name: 2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-2-hydroxy-4-methyl-6-oxopyridin-1-yl)-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-cyano-2-hydroxy-6-keto-4-methyl-1-pyridyl)-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)N3C(=O)C=C(C(=C3O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)N3C(=O)C=C(C(=C3O)C#N)C

InChI

InChI=1S/C20H20N2O5S/c1-5-27-19(26)15-11-7-20(3,4)8-13(23)16(11)28-18(15)22-14(24)6-10(2)12(9-21)17(22)25/h6,25H,5,7-8H2,1-4H3