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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-3-(4-fluorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H20ClFN2O3S2 MolecularWeight: 503.008603

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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)Cl)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)Cl)C

InChI

InChI=1S/C24H20ClFN2O3S2/c1-3-31-23(30)20-14(2)19-21(33-20)27-24(32-13-16-4-8-17(25)9-5-16)28(22(19)29)12-15-6-10-18(26)11-7-15/h4-11H,3,12-13H2,1-2H3