ethyl 6-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 6-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 2-hydroxy-6-[6-(4-methylsulfanylphenoxy)-2-pyridyl]-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6-[6-[4-(methylthio)phenoxy]-2-pyridinyl]-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-hydroxy-4-keto-6-[6-[4-(methylthio)phenoxy]-2-pyridyl]cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=O)C=C1O)C2=NC(=CC=C2)OC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1C(CC(=O)C=C1O)C2=NC(=CC=C2)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21NO5S/c1-3-26-21(25)20-16(11-13(23)12-18(20)24)17-5-4-6-19(22-17)27-14-7-9-15(28-2)10-8-14/h4-10,12,16,20,24H,3,11H2,1-2H3