butyl 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H22N2O3S/c1-3-4-13-26-19(24)14-27-21-22-17-11-7-6-10-16(17)20(25)23(21)18-12-8-5-9-15(18)2/h5-12H,3-4,13-14H2,1-2H3