ethyl 4-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C20H19FN2O3S MolecularWeight: 386.439863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O3S/c1-2-26-18(24)8-5-13-27-20-22-17-7-4-3-6-16(17)19(25)23(20)15-11-9-14(21)10-12-15/h3-4,6-7,9-12H,2,5,8,13H2,1H3