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

Systemtic Name: ethyl 2-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C9H9F3N2O3S MolecularWeight: 282.23957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C=C(N1)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C=C(N1)C(F)(F)F

InChI

InChI=1S/C9H9F3N2O3S/c1-2-17-7(16)4-18-8-13-5(9(10,11)12)3-6(15)14-8/h3H,2,4H2,1H3,(H,13,14,15)