methyl 2-[(3-methoxyphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-methoxyphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-methoxyphenyl)methylthio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methoxyphenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-(m-anisylthio)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=C1SCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H24N2O4S/c1-14(2)12-24-20(25)18-9-8-16(21(26)28-4)11-19(18)23-22(24)29-13-15-6-5-7-17(10-15)27-3/h5-11,14H,12-13H2,1-4H3