methyl 4-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C25H22N2O3S/c1-16-7-6-10-22(17(16)2)27-23(28)20-8-4-5-9-21(20)26-25(27)31-15-18-11-13-19(14-12-18)24(29)30-3/h4-14H,15H2,1-3H3