2-[4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(2,2,2-trifluoroethyl)-2-quinazolinyl]thio]acetate IUPAC Name: 2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]thio]acetate Formula: C12H8F3N2O3S- MolecularWeight: 317.26373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])CC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])CC(F)(F)F

InChI

InChI=1S/C12H9F3N2O3S/c13-12(14,15)6-17-10(20)7-3-1-2-4-8(7)16-11(17)21-5-9(18)19/h1-4H,5-6H2,(H,18,19)/p-1