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

Systemtic Name: propan-2-yl 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: isopropyl 2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetic acid isopropyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC(C)C

InChI

InChI=1S/C21H22N2O3S/c1-14(2)26-19(24)13-27-21-22-18-7-5-4-6-17(18)20(25)23(21)12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3