butyl 3-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: butyl 3-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: butyl 3-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid butyl ester IUPAC Name: butyl 3-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]propionic acid butyl ester Formula: C21H20F2N2O3S MolecularWeight: 418.456906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

Isomeric SMILES

CCCCOC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H20F2N2O3S/c1-2-3-11-28-19(26)10-12-29-21-24-17-7-5-4-6-15(17)20(27)25(21)18-9-8-14(22)13-16(18)23/h4-9,13H,2-3,10-12H2,1H3