ethyl 4-fluoranyl-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[3-(4-oxidanylidenequinazolin-3-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[3-(4-oxoquinazolin-3-yl)propanoyloxymethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propoxy]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[3-(4-oxoquinazolin-3-yl)propanoyloxymethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[3-(4-ketoquinazolin-3-yl)propanoyloxymethyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H19FN2O5S/c1-2-30-23(29)21-15(20-16(24)7-5-9-18(20)32-21)12-31-19(27)10-11-26-13-25-17-8-4-3-6-14(17)22(26)28/h3-9,13H,2,10-12H2,1H3