methyl 4-[[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C24H19ClN2O3S MolecularWeight: 450.93726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClN2O3S/c1-15-7-12-18(13-20(15)25)27-22(28)19-5-3-4-6-21(19)26-24(27)31-14-16-8-10-17(11-9-16)23(29)30-2/h3-13H,14H2,1-2H3