ethyl 4-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoate CAS Name: 4-[[[2-(methylthio)-4-(trifluoromethyl)-5-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoate Traditional Name: 4-[[2-(methylthio)-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]benzoic acid ethyl ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C(F)(F)F)SC

InChI

InChI=1S/C16H14F3N3O3S/c1-3-25-14(24)9-4-6-10(7-5-9)21-13(23)11-8-20-15(26-2)22-12(11)16(17,18)19/h4-8H,3H2,1-2H3,(H,21,23)