methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]acetic acid methyl ester Formula: C14H13F3N2O4S MolecularWeight: 362.32423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCC(=O)OC)OC

InChI

InChI=1S/C14H13F3N2O4S/c1-21-9-4-7-8(5-10(9)22-2)18-13(14(15,16)17)19-12(7)24-6-11(20)23-3/h4-5H,6H2,1-3H3