methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-benzylsulfanyl-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(benzylthio)-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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