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

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-(2-phenoxyethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-(2-phenoxyethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-(2-phenoxyethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCOC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-15(2)14-24-20(25)18-10-9-16(21(26)27-3)13-19(18)23-22(24)29-12-11-28-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3