(phenylmethyl) 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C14H11F3N2O3S MolecularWeight: 344.30895

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O3S/c15-14(16,17)10-6-11(20)19-13(18-10)23-8-12(21)22-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,18,19,20)