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

Systemtic Name: methyl 3-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

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