methyl 5-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC)C

InChI

InChI=1S/C23H20N2O4S/c1-14-10-15(2)12-16(11-14)25-21(26)18-6-4-5-7-19(18)24-23(25)30-13-17-8-9-20(29-17)22(27)28-3/h4-12H,13H2,1-3H3