ethyl 2-[6-iodanyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: ethyl 2-[6-iodanyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[6-iodo-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylpropanoate CAS Name: 2-[[6-iodo-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[6-iodo-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 2-[[6-iodo-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]propionic acid ethyl ester Formula: C20H19IN2O3S MolecularWeight: 494.34593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19IN2O3S/c1-4-26-19(25)13(3)27-20-22-17-10-7-14(21)11-16(17)18(24)23(20)15-8-5-12(2)6-9-15/h5-11,13H,4H2,1-3H3