methyl 3-butyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-3-4-12-24-20(26)17-11-10-16(21(27)28-2)13-18(17)23-22(24)29-14-19(25)15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3