ethyl 4-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C20H18F2N2O3S MolecularWeight: 404.430326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H18F2N2O3S/c1-2-27-18(25)8-5-11-28-20-23-16-7-4-3-6-14(16)19(26)24(20)17-10-9-13(21)12-15(17)22/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3