methyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate CAS Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylate Traditional Name: 2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazoline-7-carboxylic acid methyl ester Formula: C27H24FN3O7S2 MolecularWeight: 585.623763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)F)COCO4)CCC5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)F)COCO4)CCC5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C27H24FN3O7S2/c1-36-26(33)17-4-7-22-23(12-17)30-27(39-14-19-11-20(28)10-18-13-37-15-38-24(18)19)31(25(22)32)9-8-16-2-5-21(6-3-16)40(29,34)35/h2-7,10-12H,8-9,13-15H2,1H3,(H2,29,34,35)