methyl 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]acetic acid methyl ester Formula: C13H11F3N2O2S MolecularWeight: 316.29885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2S/c1-7-3-4-9-8(5-7)11(21-6-10(19)20-2)18-12(17-9)13(14,15)16/h3-5H,6H2,1-2H3