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

Systemtic Name: methyl 3-cyclohexyl-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-cyclohexyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-cyclohexyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-cyclohexyl-4-keto-2-[[4-(trifluoromethoxy)benzyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C24H23F3N2O4S MolecularWeight: 492.51063

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)C4CCCCC4

InChI

InChI=1S/C24H23F3N2O4S/c1-32-22(31)16-9-12-19-20(13-16)28-23(29(21(19)30)17-5-3-2-4-6-17)34-14-15-7-10-18(11-8-15)33-24(25,26)27/h7-13,17H,2-6,14H2,1H3