ethyl 4-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2,6-dimethylphenyl)-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:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

InChI

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