methyl 3-[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[(3-fluoro-4-methoxy-benzyl)thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)F

InChI

InChI=1S/C20H19FN2O4S/c1-26-17-8-7-13(11-15(17)21)12-28-20-22-16-6-4-3-5-14(16)19(25)23(20)10-9-18(24)27-2/h3-8,11H,9-10,12H2,1-2H3