diethyl 2-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]carbonylpropanedioate

Systemtic Name: diethyl 2-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]carbonylpropanedioate Openeye Name: diethyl 2-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonyl]propanedioate CAS Name: 2-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonyl]propanedioate Traditional Name: 2-[1-(4-fluorophenyl)-5-(4-mesylphenyl)pyrazole-3-carbonyl]malonic acid diethyl ester Formula: C24H23FN2O7S MolecularWeight: 502.512023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C24H23FN2O7S/c1-4-33-23(29)21(24(30)34-5-2)22(28)19-14-20(15-6-12-18(13-7-15)35(3,31)32)27(26-19)17-10-8-16(25)9-11-17/h6-14,21H,4-5H2,1-3H3