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

Systemtic Name: methyl 3-[[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-26-12-6-11-23-19(24)17-9-3-4-10-18(17)22-21(23)28-14-15-7-5-8-16(13-15)20(25)27-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3