methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chloro-4-fluoro-phenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H15ClFN3O5S MolecularWeight: 499.898703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H15ClFN3O5S/c1-33-22(30)14-5-7-17-20(10-14)26-23(34-12-13-3-2-4-16(9-13)28(31)32)27(21(17)29)15-6-8-19(25)18(24)11-15/h2-11H,12H2,1H3