methyl 3-[4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylthio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[4-(trifluoromethoxy)benzyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H17F3N2O4S/c1-28-17(26)10-11-25-18(27)15-4-2-3-5-16(15)24-19(25)30-12-13-6-8-14(9-7-13)29-20(21,22)23/h2-9H,10-12H2,1H3