methyl 4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C15H12F3N3O4S MolecularWeight: 387.33369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C15H12F3N3O4S/c1-25-13(24)8-2-4-9(5-3-8)19-12(23)7-26-14-20-10(15(16,17)18)6-11(22)21-14/h2-6H,7H2,1H3,(H,19,23)(H,20,21,22)