1H-Thieno[3,4-d]imidazole, benzeneacetic acid deriv.

SpectraBase Compound ID	KrT2Cm62jKa
InChI	InChI=1S/C28H28N2O4S/c1-33-26(31)25(22-15-9-4-10-16-22)34-27-24-23(19-35-27)29(17-20-11-5-2-6-12-20)28(32)30(24)18-21-13-7-3-8-14-21/h2-16,23-25,27H,17-19H2,1H3/t23-,24-,25+,27-/m1/s1
InChIKey	IKLCUFRDRRTENS-HIQYAUPDSA-N Google Search
Mol Weight	488.6 g/mol
Molecular Formula	C28H28N2O4S
Exact Mass	488.176979 g/mol

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SpectraBase Spectrum ID	6Hzfaj1yN5O
Name	1H-Thieno[3,4-d]imidazole, benzeneacetic acid deriv.
Alternate Name(s)	Benzeneacetic acid, .alpha.-[[hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]imidazol-4-yl]oxy]-, methyl ester, [3aR-[3a.alpha.,4.alpha.(S*),6a.alpha.]]- Methyl (2S)-{[(3aR,4R,6aS)-1,3-dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]oxy}(phenyl)ethanoate Methyl (S)-.alpha.-3aS-(3a.alpha.,4.alpha.,6a.alpha.)]-2-hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-thieno[3,4-d]-imidazol-4-yloxy]benzeneacetate
CAS Registry Number	132150-94-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H28N2O4S
InChI	InChI=1S/C28H28N2O4S/c1-33-26(31)25(22-15-9-4-10-16-22)34-27-24-23(19-35-27)29(17-20-11-5-2-6-12-20)28(32)30(24)18-21-13-7-3-8-14-21/h2-16,23-25,27H,17-19H2,1H3/t23-,24-,25+,27-/m1/s1
InChIKey	IKLCUFRDRRTENS-HIQYAUPDSA-N
Molecular Weight	488.602 g/mol
SMILES	C1(N([C@@]2([C@](N1Cc1ccccc1)(CS[C@]2(O[C@](C(=O)OC)(c1ccccc1)[H])[H])[H])[H])Cc1ccccc1)=O
SPLASH	splash10-0006-9521000000-d4a6ff3d7955520e4b6b
Source of Spectrum	F-46-7673-3
Wiley ID	1396905