tert-butyl 2-cyclopropylcarbonyl-3-[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[5-[(4-fluorophenyl)thio]-1-methyl-3-(trifluoromethyl)-4-pyrazolyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[5-(4-fluorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-[5-[(4-fluorophenyl)thio]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-keto-propionic acid tert-butyl ester Formula: C22H22F4N2O4S MolecularWeight: 486.479693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(N(N=C2C(F)(F)F)C)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(N(N=C2C(F)(F)F)C)SC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22F4N2O4S/c1-21(2,3)32-20(31)14(16(29)11-5-6-11)17(30)15-18(22(24,25)26)27-28(4)19(15)33-13-9-7-12(23)8-10-13/h7-11,14H,5-6H2,1-4H3