(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C23H17FN2O4S MolecularWeight: 436.455483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)COC(=O)CCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H17FN2O4S/c24-16-8-6-15(7-9-16)18(27)10-11-20(28)30-12-19-25-22(29)21-17(13-31-23(21)26-19)14-4-2-1-3-5-14/h1-9,13H,10-12H2,(H,25,26,29)