methyl 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid methyl ester Formula: C14H13F3N2O3S MolecularWeight: 346.32483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)SCCC(=O)OC

InChI

InChI=1S/C14H13F3N2O3S/c1-21-8-3-4-9-10(7-8)18-13(14(15,16)17)19-12(9)23-6-5-11(20)22-2/h3-4,7H,5-6H2,1-2H3