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1,2-Bis-[5-ethoxycarbonyl-4-methyl-2-(phenylimino)-1,3-thiazolene-3-yl]ethane
SpectraBase Compound ID KauccpTslo0
InChI InChI=1S/C28H30N4O4S2/c1-5-35-25(33)23-19(3)31(27(37-23)29-21-13-9-7-10-14-21)17-18-32-20(4)24(26(34)36-6-2)38-28(32)30-22-15-11-8-12-16-22/h7-16H,5-6,17-18H2,1-4H3/b29-27-,30-28-
InChIKey QYCNLPWXKHCKIK-ZUELCTOOSA-N
Mol Weight 550.69 g/mol
Molecular Formula C28H30N4O4S2
Exact Mass 550.170848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIR4ShEwZlq
Name 1,2-Bis-[5-ethoxycarbonyl-4-methyl-2-(phenylimino)-1,3-thiazolene-3-yl]ethane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N4O4S2
InChI InChI=1S/C28H30N4O4S2/c1-5-35-25(33)23-19(3)31(27(37-23)29-21-13-9-7-10-14-21)17-18-32-20(4)24(26(34)36-6-2)38-28(32)30-22-15-11-8-12-16-22/h7-16H,5-6,17-18H2,1-4H3/b29-27-,30-28-
InChIKey QYCNLPWXKHCKIK-ZUELCTOOSA-N
Molecular Weight 550.692 g/mol
SMILES C=1(S\C(N(C1C)CCN1\C(SC(=C1C)C(=O)OCC)=N\c1ccccc1)=N/c1ccccc1)C(=O)OCC
SPLASH splash10-000i-2090000000-ae63eb7e584e06c5ccdf
Source of Spectrum E1-62-444-19b
Synonyms 1,2-Bis-[5-ethoxycarbonyl-4-methyl-2-(phenylimino)-1,3-thiazolidin-3-yl] ethane (2Z,2'Z)-diethyl 3,3'-(ethane-1,2-diyl)bis(4-methyl-2-(phenylimino)-2,3-dihydrothiazole-5-carboxylate)
Wiley ID 1739773