methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-methoxyethyl)-2-[[4-(trifluoromethoxy)benzyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H19F3N2O5S MolecularWeight: 468.44617

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H19F3N2O5S/c1-29-10-9-26-18(27)16-8-5-14(19(28)30-2)11-17(16)25-20(26)32-12-13-3-6-15(7-4-13)31-21(22,23)24/h3-8,11H,9-10,12H2,1-2H3