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Ethyl 5-{[4'-(1",3"-dioxo-1",3"-dihydroisoindol-2"-yl)-3'-oxobut-1'-enyl]amino}-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 5-{[4'-(1",3"-dioxo-1",3"-dihydroisoindol-2"-yl)-3'-oxobut-1'-enyl]amino}-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
SpectraBase Compound ID D9KJQEUdHf1
InChI InChI=1S/C27H20N4O6S/c1-2-37-27(36)22-20-15-38-23(21(20)26(35)31(29-22)16-8-4-3-5-9-16)28-13-12-17(32)14-30-24(33)18-10-6-7-11-19(18)25(30)34/h3-13,15,28H,2,14H2,1H3/b13-12+
InChIKey RDWZLOQNZYSTQB-OUKQBFOZSA-N
Mol Weight 528.54 g/mol
Molecular Formula C27H20N4O6S
Exact Mass 528.110356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HavORnC8boQ
Name Ethyl 5-{[4'-(1",3"-dioxo-1",3"-dihydroisoindol-2"-yl)-3'-oxobut-1'-enyl]amino}-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
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Formula C27H20N4O6S
InChI InChI=1S/C27H20N4O6S/c1-2-37-27(36)22-20-15-38-23(21(20)26(35)31(29-22)16-8-4-3-5-9-16)28-13-12-17(32)14-30-24(33)18-10-6-7-11-19(18)25(30)34/h3-13,15,28H,2,14H2,1H3/b13-12+
InChIKey RDWZLOQNZYSTQB-OUKQBFOZSA-N
Molecular Weight 528.539 g/mol
SMILES N(\C=C\C(CN1C(c2ccccc2C1=O)=O)=O)c1c2c(C(C(=O)OCC)=NN(C2=O)c2ccccc2)cs1
SPLASH splash10-004i-2402490000-4997e5cce141af776fab
Source of Spectrum AJ-43-561-11
Synonyms Ethyl 5-{[(1E)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-oxo-1-butenyl]amino}-4-oxo-3-phenyl-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
Wiley ID 1594036