methyl 2-[4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylthio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[2-(trifluoromethyl)benzyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H15F3N2O3S/c1-27-16(25)10-24-17(26)13-7-3-5-9-15(13)23-18(24)28-11-12-6-2-4-8-14(12)19(20,21)22/h2-9H,10-11H2,1H3