3,3-dimethyl-5-oxidanylidene-5-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]amino]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]amino]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]anilino]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]anilino]pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]anilino]valerate Formula: C21H19F3N3O3S- MolecularWeight: 450.45407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC(=O)[O-]

InChI

InChI=1S/C21H20F3N3O3S/c1-20(2,12-19(29)30)11-18(28)25-13-5-7-14(8-6-13)27-15(16-4-3-9-31-16)10-17(26-27)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,28)(H,29,30)/p-1