[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C17H16F3N3O3S/c1-10-6-11(2)22-16(21-10)27-9-15(25)26-8-14(24)23-13-5-3-4-12(7-13)17(18,19)20/h3-7H,8-9H2,1-2H3,(H,23,24)