methyl 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Openeye Name: methyl 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate CAS Name: 3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanoate Traditional Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]thio]propionic acid methyl ester Formula: C14H13F3N2O2S MolecularWeight: 330.32543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)OC)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCCC(=O)OC)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O2S/c1-8-3-4-10-9(7-8)12(22-6-5-11(20)21-2)19-13(18-10)14(15,16)17/h3-4,7H,5-6H2,1-2H3