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(2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)bis-(4-oxo-2-phenylimino)thiazolidin-3-yl-5-ylidene)] diacetate
SpectraBase Compound ID 940CCAmHbTr
InChI InChI=1S/C27H24N4O6S2/c1-36-22(32)16-20-24(34)30(26(38-20)28-18-10-5-3-6-11-18)14-9-15-31-25(35)21(17-23(33)37-2)39-27(31)29-19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3/b20-16-,21-17+,28-26-,29-27-
InChIKey XGKONYAGEYXOKU-DNYFMRAWSA-N
Mol Weight 564.63 g/mol
Molecular Formula C27H24N4O6S2
Exact Mass 564.113727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yeR52NIoqm
Name (2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)bis-(4-oxo-2-phenylimino)thiazolidin-3-yl-5-ylidene)] diacetate
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Formula C27H24N4O6S2
InChI InChI=1S/C27H24N4O6S2/c1-36-22(32)16-20-24(34)30(26(38-20)28-18-10-5-3-6-11-18)14-9-15-31-25(35)21(17-23(33)37-2)39-27(31)29-19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3/b20-16-,21-17+,28-26-,29-27-
InChIKey XGKONYAGEYXOKU-DNYFMRAWSA-N
Literature Reference DOI 10.1515/znb-2014-0226
Molecular Weight 564.631 g/mol
SMILES C1(\C(S\C(N1CCCN1\C(=N\c2ccccc2)S\C(C1=O)=C\C(=O)OC)=N\c1ccccc1)=C/C(OC)=O)=O
SPLASH splash10-0gw0-1416090000-1a408274118b2ffe51fe
Source of Spectrum ZNB-70-247-3g
Synonyms (2Z,2'E)-dimethyl 2,2'-((2Z,2'Z)-3,3'-(propane-1,3-diyl)bis(4-oxo-2-(phenylimino)thiazolidin-3-yl-5-ylidene))diacetate
Wiley ID 1761442