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

Systemtic Name: ethyl 4-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)OCC

InChI

InChI=1S/C22H24N2O3S/c1-3-16-10-5-8-13-19(16)24-21(26)17-11-6-7-12-18(17)23-22(24)28-15-9-14-20(25)27-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3