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

Systemtic Name: ethyl 2-[5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: ethyl 2-[5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-fluorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyric acid ethyl ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(C(=O)OCC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O3S/c1-3-14(18(23)24-4-2)21-10-20-16-15(17(21)22)13(9-25-16)11-5-7-12(19)8-6-11/h5-10,14H,3-4H2,1-2H3