methyl 3-[2-[(6-fluoranylquinolin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(6-fluoranylquinolin-8-yl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(6-fluoro-8-quinolyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(6-fluoro-8-quinolinyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(6-fluoro-8-quinolyl)methylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)C=CC=N4

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)F)C=CC=N4

InChI

InChI=1S/C22H18FN3O3S/c1-29-19(27)8-10-26-21(28)17-6-2-3-7-18(17)25-22(26)30-13-15-12-16(23)11-14-5-4-9-24-20(14)15/h2-7,9,11-12H,8,10,13H2,1H3