ethyl 6-[3-(5-methylsulfonylpyridin-2-yl)oxyphenyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: ethyl 6-[3-(5-methylsulfonylpyridin-2-yl)oxyphenyl]-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: ethyl 2-hydroxy-6-[3-[(5-methylsulfonyl-2-pyridyl)oxy]phenyl]-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-6-[3-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-[3-(5-methylsulfonylpyridin-2-yl)oxyphenyl]-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 2-hydroxy-4-keto-6-[3-[(5-mesyl-2-pyridyl)oxy]phenyl]cyclohex-2-ene-1-carboxylic acid ethyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7S/c1-3-28-21(25)20-17(10-14(23)11-18(20)24)13-5-4-6-15(9-13)29-19-8-7-16(12-22-19)30(2,26)27/h4-9,11-12,17,20,24H,3,10H2,1-2H3