For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)-bis(2-benzylimino)-4-oxo-thiazolidin-3-yl-5-ylidene)] diacetate
SpectraBase Compound ID HYKP9SrbpBA
InChI InChI=1S/C29H28N4O6S2/c1-38-24(34)16-22-26(36)32(28(40-22)30-18-20-10-5-3-6-11-20)14-9-15-33-27(37)23(17-25(35)39-2)41-29(33)31-19-21-12-7-4-8-13-21/h3-8,10-13,16-17H,9,14-15,18-19H2,1-2H3/b22-16-,23-17+,30-28-,31-29-
InChIKey JZRFJXIVBMWCIH-BGUIOXCFSA-N
Mol Weight 592.69 g/mol
Molecular Formula C29H28N4O6S2
Exact Mass 592.145027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4asildeDvfn
Name (2Z,2'E)-dimethyl-2,2'-[(2Z,2'Z)-3,3'-(propane-1,3-diyl)-bis(2-benzylimino)-4-oxo-thiazolidin-3-yl-5-ylidene)] diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N4O6S2
InChI InChI=1S/C29H28N4O6S2/c1-38-24(34)16-22-26(36)32(28(40-22)30-18-20-10-5-3-6-11-20)14-9-15-33-27(37)23(17-25(35)39-2)41-29(33)31-19-21-12-7-4-8-13-21/h3-8,10-13,16-17H,9,14-15,18-19H2,1-2H3/b22-16-,23-17+,30-28-,31-29-
InChIKey JZRFJXIVBMWCIH-BGUIOXCFSA-N
Literature Reference DOI 10.1515/znb-2014-0226
Molecular Weight 592.685 g/mol
SMILES C1(\C(S\C(N1CCCN1\C(=N\Cc2ccccc2)S\C(C1=O)=C\C(=O)OC)=N\Cc1ccccc1)=C/C(OC)=O)=O
SPLASH splash10-0006-9010050000-0776b17cd24126427d79
Source of Spectrum ZNB-70-247-3h
Synonyms (2Z,2'E)-dimethyl 2,2'-((2Z,2'Z)-3,3'-(propane-1,3-diyl)bis(2-(benzylimino)-4-oxothiazolidin-3-yl-5-ylidene))diacetate
Wiley ID 1761443