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Dimethyl 1-(benzylamino)-4-(tert-butylthiocarbomoyl)-4-(dimethylamino)-1-(methylthio)butadiene-2,3-dicarboxylate
SpectraBase Compound ID FLpPihDXG4E
InChI InChI=1S/C23H33N3O4S2/c1-23(2,3)25-19(31)18(26(4)5)16(21(27)29-6)17(22(28)30-7)20(32-8)24-14-15-12-10-9-11-13-15/h9-13,24H,14H2,1-8H3,(H,25,31)/b18-16+,20-17+
InChIKey QEJGLRTWVFDDMO-JEEWHQRCSA-N
Mol Weight 479.7 g/mol
Molecular Formula C23H33N3O4S2
Exact Mass 479.191249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cPOBOmXuhG
Name Dimethyl 1-(benzylamino)-4-(tert-butylthiocarbomoyl)-4-(dimethylamino)-1-(methylthio)butadiene-2,3-dicarboxylate
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Formula C23H33N3O4S2
InChI InChI=1S/C23H33N3O4S2/c1-23(2,3)25-19(31)18(26(4)5)16(21(27)29-6)17(22(28)30-7)20(32-8)24-14-15-12-10-9-11-13-15/h9-13,24H,14H2,1-8H3,(H,25,31)/b18-16+,20-17+
InChIKey QEJGLRTWVFDDMO-JEEWHQRCSA-N
Molecular Weight 479.654 g/mol
SMILES N(\C(=C\(\C(=C\(C(NC(C)(C)C)=S)N(C)C)C(=O)OC)C(=O)OC)SC)Cc1ccccc1
SPLASH splash10-0006-9001000000-5789848aa59f56d5acba
Source of Spectrum F-51-7028-7
Synonyms Dimethyl (2E,3E)-2-[(benzylamino)(methylsulfanyl)methylene]-3-[2-(tert-butylamino)-1-(dimethylamino)-2-thioxoethylidene]butanedioate
Wiley ID 792406