ethyl 4-fluoranyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]oxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H17FN2O5S MolecularWeight: 440.444183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H17FN2O5S/c1-2-29-22(28)20-14(19-15(23)8-5-9-17(19)31-20)11-30-18(26)10-16-12-6-3-4-7-13(12)21(27)25-24-16/h3-9H,2,10-11H2,1H3,(H,25,27)