(3E)-4-[8-Methyl-6-(4-methyl-phenyl)sulfonyl-2,3-dihydro-6H-[1,4]dioxino[2,3-f]indol-7-yl]-but-3-en-2-one

SpectraBase Compound ID	8pndxhho1sv
InChI	InChI=1S/C22H21NO5S/c1-14-4-7-17(8-5-14)29(25,26)23-19(9-6-15(2)24)16(3)18-12-21-22(13-20(18)23)28-11-10-27-21/h4-9,12-13H,10-11H2,1-3H3/b9-6+
InChIKey	KOHPSRCIHPONMO-RMKNXTFCSA-N Google Search
Mol Weight	411.47 g/mol
Molecular Formula	C22H21NO5S
Exact Mass	411.114044 g/mol

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SpectraBase Spectrum ID	3J47GGqXiBK
Name	(3E)-4-[8-Methyl-6-(4-methyl-phenyl)sulfonyl-2,3-dihydro-6H-[1,4]dioxino[2,3-f]indol-7-yl]-but-3-en-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21NO5S
InChI	InChI=1S/C22H21NO5S/c1-14-4-7-17(8-5-14)29(25,26)23-19(9-6-15(2)24)16(3)18-12-21-22(13-20(18)23)28-11-10-27-21/h4-9,12-13H,10-11H2,1-3H3/b9-6+
InChIKey	KOHPSRCIHPONMO-RMKNXTFCSA-N
Molecular Weight	411.472 g/mol
SMILES	c1(S([n]2c(c(C)c3c2cc2c(OCCO2)c3)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH	splash10-08fr-2290800000-93288405da36a6be8df9
Source of Spectrum	U1-2014-2513-3l
Synonyms	(3E)-4-[8-Methyl-6-(4-methylphenyl)sulfonyl-2,3-dihydro-6H-[1,4]dioxino[2,3-f]indol-7-yl]but-3-en-2-one (E)-4-(8-methyl-6-tosyl-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-yl)but-3-en-2-one (E)-4-[8-methyl-6-(4-methylphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-7-yl]-3-buten-2-one (E)-4-[8-methyl-6-(p-tolylsulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-7-yl]but-3-en-2-one (E)-4-[8-methyl-6-(4-methylphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-7-yl]but-3-en-2-one
Wiley ID	1740802