methyl 2-[4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H13F3N2O3S MolecularWeight: 358.33553

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H13F3N2O3S/c1-23-13(22)7-10-6-12(21)20-14(19-10)24-8-9-4-2-3-5-11(9)15(16,17)18/h2-6H,7-8H2,1H3,(H,19,20,21)