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

Systemtic Name: butyl 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-4-12-27-19(24)14-28-21-22-18-11-6-5-10-17(18)20(25)23(21)15-8-7-9-16(13-15)26-2/h5-11,13H,3-4,12,14H2,1-2H3