4-[2-[[2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-cyano-4-(trifluoromethylsulfinyl)pyrazol-3-yl]-methyl-carbamoyl]oxyethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[[2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-cyano-4-(trifluoromethylsulfinyl)pyrazol-3-yl]-methyl-carbamoyl]oxyethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]-methyl-carbamoyl]oxyethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[[[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)-3-pyrazolyl]-methylamino]-oxomethoxy]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]-methylcarbamoyl]oxyethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[[5-cyano-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazol-3-yl]-methyl-carbamoyl]oxyethoxy]-4-keto-butyric acid Formula: C20H14Cl2F6N4O7S MolecularWeight: 639.309179

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F)C(=O)OCCOC(=O)CCC(=O)O

Isomeric SMILES

CN(C1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F)C(=O)OCCOC(=O)CCC(=O)O

InChI

InChI=1S/C20H14Cl2F6N4O7S/c1-31(18(36)39-5-4-38-14(35)3-2-13(33)34)17-16(40(37)20(26,27)28)12(8-29)30-32(17)15-10(21)6-9(7-11(15)22)19(23,24)25/h6-7H,2-5H2,1H3,(H,33,34)