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Methyl (Z)-2-((E)-3-Allyl-2-{(E)-[(Z)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxothiazolidin-2-ylidene]hydrazono}-4-oxothiazolidin-5-ylidene)acetate
SpectraBase Compound ID 2A0eUEFxdzC
InChI InChI=1S/C22H20N4O6S2/c1-4-10-25-19(29)15(11-17(27)31-2)33-21(25)23-24-22-26(13-14-8-6-5-7-9-14)20(30)16(34-22)12-18(28)32-3/h4-9,11-12H,1,10,13H2,2-3H3/b15-11+,16-12-,23-21+,24-22-
InChIKey KDVROOBGOCRIBW-GCTQZSFNSA-N
Mol Weight 500.54 g/mol
Molecular Formula C22H20N4O6S2
Exact Mass 500.082427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tcrQcIepbt
Name Methyl (Z)-2-((E)-3-Allyl-2-{(E)-[(Z)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxothiazolidin-2-ylidene]hydrazono}-4-oxothiazolidin-5-ylidene)acetate
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Formula C22H20N4O6S2
InChI InChI=1S/C22H20N4O6S2/c1-4-10-25-19(29)15(11-17(27)31-2)33-21(25)23-24-22-26(13-14-8-6-5-7-9-14)20(30)16(34-22)12-18(28)32-3/h4-9,11-12H,1,10,13H2,2-3H3/b15-11+,16-12-,23-21+,24-22-
InChIKey KDVROOBGOCRIBW-GCTQZSFNSA-N
Molecular Weight 500.544 g/mol
SMILES C1(\C(S\C(N1Cc1ccccc1)=N\N=C/1N(C(=O)\C(S1)=C/C(=O)OC)CC=C)=C\C(=O)OC)=O
SPLASH splash10-0006-9100000000-280e7f6f2d21945c85cb
Source of Spectrum F4-46-3100-3f
Synonyms (E)-methyl 2-((E)-3-allyl-2-((Z)-((Z)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxothiazolidin-2-ylidene)hydrazono)-4-oxothiazolidin-5-ylidene)acetate
Wiley ID 1743301