methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[[4-(trifluoromethoxy)benzyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C26H25F3N2O4S MolecularWeight: 518.54791

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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)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)OC(F)(F)F)CCC4=CCCCC4

InChI

InChI=1S/C26H25F3N2O4S/c1-34-24(33)19-9-12-21-22(15-19)30-25(31(23(21)32)14-13-17-5-3-2-4-6-17)36-16-18-7-10-20(11-8-18)35-26(27,28)29/h5,7-12,15H,2-4,6,13-14,16H2,1H3