methyl 4-[[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21ClN2O4S/c1-27-11-3-10-24-19(25)17-9-8-16(22)12-18(17)23-21(24)29-13-14-4-6-15(7-5-14)20(26)28-2/h4-9,12H,3,10-11,13H2,1-2H3