methyl 2-chloranyl-5-[5-[[5-oxidanylidene-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 2-chloranyl-5-[5-[[5-oxidanylidene-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 2-chloro-5-[5-[[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]-2-furyl]benzoate CAS Name: 2-chloro-5-[5-[[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-4-pyrazolylidene]methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[5-[[5-oxo-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate Traditional Name: 2-chloro-5-[5-[[5-keto-1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester Formula: C23H15ClF3N3O6S MolecularWeight: 553.89491

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)Cl

InChI

InChI=1S/C23H15ClF3N3O6S/c1-35-22(32)16-10-12(2-8-18(16)24)19-9-5-14(36-19)11-17-20(23(25,26)27)29-30(21(17)31)13-3-6-15(7-4-13)37(28,33)34/h2-11H,1H3,(H2,28,33,34)