methyl 3-[2-[3-(4-fluoranylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[3-(4-fluoranylphenoxy)propylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[3-(4-fluorophenoxy)propylsulfanyl]-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[3-(4-fluorophenoxy)propylthio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-fluorophenoxy)propylsulfanyl]-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[3-(4-fluorophenoxy)propylthio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCOC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4S/c1-27-19(25)11-12-24-20(26)17-5-2-3-6-18(17)23-21(24)29-14-4-13-28-16-9-7-15(22)8-10-16/h2-3,5-10H,4,11-14H2,1H3