methyl 3-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoate CAS Name: 3-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate Traditional Name: 3-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)OC

InChI

InChI=1S/C20H20N2O3S/c1-13-8-9-14(2)17(12-13)22-19(24)15-6-4-5-7-16(15)21-20(22)26-11-10-18(23)25-3/h4-9,12H,10-11H2,1-3H3