methyl 2-(2-methylprop-2-enylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-methylprop-2-enylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-(2-methylallylsulfanyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(2-methylprop-2-enylthio)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylprop-2-enylsulfanyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-(2-methylallylthio)quinazoline-7-carboxylic acid methyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=C)C

InChI

InChI=1S/C18H22N2O3S/c1-11(2)9-20-16(21)14-7-6-13(17(22)23-5)8-15(14)19-18(20)24-10-12(3)4/h6-8,11H,3,9-10H2,1-2,4-5H3