ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-3-oxo-butanoate CAS Name: 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]oxy]-3-oxobutanoate Traditional Name: 2-[[4-(4-fluorophenyl)-5-(4-mesylphenyl)-1H-pyrazol-3-yl]oxy]-3-keto-butyric acid ethyl ester Formula: C22H21FN2O6S MolecularWeight: 460.475343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)OC1=NNC(=C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)C)OC1=NNC(=C1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21FN2O6S/c1-4-30-22(27)20(13(2)26)31-21-18(14-5-9-16(23)10-6-14)19(24-25-21)15-7-11-17(12-8-15)32(3,28)29/h5-12,20H,4H2,1-3H3,(H,24,25)