methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[2-(allylamino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC=C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC=C

InChI

InChI=1S/C19H23N3O4S/c1-4-6-10-22-17(24)14-8-7-13(18(25)26-3)11-15(14)21-19(22)27-12-16(23)20-9-5-2/h5,7-8,11H,2,4,6,9-10,12H2,1,3H3,(H,20,23)