methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chloro-4-fluoro-phenyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-fluorophenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C24H16ClFN2O4S MolecularWeight: 482.911243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C24H16ClFN2O4S/c1-32-23(31)15-7-9-17-20(11-15)27-24(33-13-21(29)14-5-3-2-4-6-14)28(22(17)30)16-8-10-19(26)18(25)12-16/h2-12H,13H2,1H3