ethyl 2-methylsulfanyl-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16F3N3O3S2 MolecularWeight: 431.45245

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)SC

InChI

InChI=1S/C17H16F3N3O3S2/c1-3-26-15(25)12-8-21-16(27-2)23-14(12)28-9-13(24)22-11-6-4-5-10(7-11)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,22,24)