1,3-Dibenzyl-4-[1-(1E,3E-4-methoxycarbonyl-1,3-butadienyl]-1H-tetrahydrothieno[3,4-d]imidazol-2(3H)-one

SpectraBase Compound ID	1z9rr0hYlAy
InChI	InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-15,21-22,24H,16-18H2,1H3/b14-8+,15-9+/t21-,22+,24-/m0/s1
InChIKey	MAECPGNNTIMZSQ-GCFKHULUSA-N Google Search
Mol Weight	434.55 g/mol
Molecular Formula	C25H26N2O3S
Exact Mass	434.166414 g/mol

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SpectraBase Spectrum ID	KtIvDg2FVqZ
Name	1,3-Dibenzyl-4-[1-(1E,3E-4-methoxycarbonyl-1,3-butadienyl]-1H-tetrahydrothieno[3,4-d]imidazol-2(3H)-one
Alternate Name(s)	(3aS,4R,6aR)-1,3-Dibenzyl-4-[(1E,3E)-4-methoxycarboxyl-1,3-butandienyl]-1Htetrahydrothieno[3,4-d]imidazole-2(3H)-one (2E,4E)-5-[(3aS,4R,6aR)-2-oxo-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]penta-2,4-dienoic acid methyl ester Methyl (2E,4E)-5-[(3aS,4R,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]penta-2,4-dienoate Methyl (2E,4E)-5-[(3aS,4R,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]penta-2,4-dienoate (2E,4E)-methyl 5-((3aS,4R,6aR)-1,3-dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)penta-2,4-dienoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H26N2O3S
InChI	InChI=1S/C25H26N2O3S/c1-30-23(28)15-9-8-14-22-24-21(18-31-22)26(16-19-10-4-2-5-11-19)25(29)27(24)17-20-12-6-3-7-13-20/h2-15,21-22,24H,16-18H2,1H3/b14-8+,15-9+/t21-,22+,24-/m0/s1
InChIKey	MAECPGNNTIMZSQ-GCFKHULUSA-N
Literature Reference DOI	10.1002/adsc.200404311
Molecular Weight	434.554 g/mol
SMILES	[C@]12(N(C(N([C@]2(CS[C@@]1(\C=C\C=C\C(OC)=O)[H])[H])Cc1ccccc1)=O)Cc1ccccc1)[H]
SPLASH	splash10-004l-6190500000-3853e733d0bc5d442972
Source of Spectrum	ASC-347-553-8
Wiley ID	1767880