ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylthio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-fluorobenzyl)-4-keto-5-methyl-2-[[4-(trifluoromethoxy)benzyl]thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H20F4N2O4S2 MolecularWeight: 552.560913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC4=CC=C(C=C4)OC(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)F)SCC4=CC=C(C=C4)OC(F)(F)F)C

InChI

InChI=1S/C25H20F4N2O4S2/c1-3-34-23(33)20-14(2)19-21(37-20)30-24(31(22(19)32)12-15-4-8-17(26)9-5-15)36-13-16-6-10-18(11-7-16)35-25(27,28)29/h4-11H,3,12-13H2,1-2H3