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(2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)-bis(2-allylimino)-4-oxothiazolidin-3-yl-5-ylidene)]diacetate
SpectraBase Compound ID 7fndBFHhyAO
InChI InChI=1S/C21H24N4O6S2/c1-5-8-22-20-24(18(28)14(32-20)12-16(26)30-3)10-7-11-25-19(29)15(13-17(27)31-4)33-21(25)23-9-6-2/h5-6,12-13H,1-2,7-11H2,3-4H3/b14-12-,15-13+,22-20-,23-21-
InChIKey HXFJCNIBJXQFCS-NCHDQGEBSA-N
Mol Weight 492.57 g/mol
Molecular Formula C21H24N4O6S2
Exact Mass 492.113727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ASmAb32Mz5
Name (2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)-bis(2-allylimino)-4-oxothiazolidin-3-yl-5-ylidene)]diacetate
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Formula C21H24N4O6S2
InChI InChI=1S/C21H24N4O6S2/c1-5-8-22-20-24(18(28)14(32-20)12-16(26)30-3)10-7-11-25-19(29)15(13-17(27)31-4)33-21(25)23-9-6-2/h5-6,12-13H,1-2,7-11H2,3-4H3/b14-12-,15-13+,22-20-,23-21-
InChIKey HXFJCNIBJXQFCS-NCHDQGEBSA-N
Literature Reference DOI 10.1515/znb-2014-0226
Molecular Weight 492.565 g/mol
SMILES C1(\C(S\C(N1CCCN1C(\C(S\C1=N\CC=C)=C\C(=O)OC)=O)=N\CC=C)=C/C(OC)=O)=O
SPLASH splash10-0006-5020900000-01f379b44de7ce046b47
Source of Spectrum ZNB-70-247-3f
Synonyms (2Z,2'E)-dimethyl 2,2'-((2Z,2'Z)-3,3'-(propane-1,3-diyl)bis(2-(allylimino)-4-oxothiazolidin-3-yl-5-ylidene))diacetate
Wiley ID 1761441