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ETHYL-5-[(2,6-DIOXOCYCLOHEXYLIDENEMETHYL)-AMINO]-4-OXO-3-PHENYL-3,4-DIHYDROTHIENO-[3,4-D]-PYRIDAZINE-1-CARBOXYLATE
SpectraBase Compound ID 724Da2PwNBF
InChI InChI=1S/C22H19N3O5S/c1-2-30-22(29)19-15-12-31-20(23-11-14-16(26)9-6-10-17(14)27)18(15)21(28)25(24-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,23H,2,6,9-10H2,1H3
InChIKey CRFGFBAOZRAICO-UHFFFAOYSA-N
Mol Weight 437.47 g/mol
Molecular Formula C22H19N3O5S
Exact Mass 437.104542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhATykIByQM
Name 5-[(2,6-diketocyclohexylidene)methylamino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O5S
InChI InChI=1S/C22H19N3O5S/c1-2-30-22(29)19-15-12-31-20(23-11-14-16(26)9-6-10-17(14)27)18(15)21(28)25(24-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,23H,2,6,9-10H2,1H3
InChIKey CRFGFBAOZRAICO-UHFFFAOYSA-N
Molecular Weight 437.470 g/mol
SMILES N(C=C1C(=O)CCCC1=O)c1c2c(C(C(=O)OCC)=NN(C2=O)c2ccccc2)cs1
SPLASH splash10-0173-7029700000-21be8fec6f6e8e1a708d
Source of Spectrum AJ-43-563-21
Synonyms 5-[(2,6-dioxocyclohexylidene)methylamino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester Ethyl 5-[(2,6-dioxocyclohexylidene)methylamino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Ethyl 5-[[2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate
Wiley ID 1594028