methyl 2-(3-methylbut-2-enylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-methylbut-2-enylsulfanyl)-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(3-methylbut-2-enylsulfanyl)-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-(3-methylbut-2-enylthio)-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbut-2-enylsulfanyl)-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(3-methylbut-2-enylthio)-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3)C

Isomeric SMILES

CC(=CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O3S/c1-14(2)11-12-27-21-22-18-13-15(20(25)26-3)9-10-17(18)19(24)23(21)16-7-5-4-6-8-16/h4-11,13H,12H2,1-3H3