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(E/Z)-N-[2-(Diethylamino)ethyl]-5-[(5-fluoro-2-methyl-2-oxido-3H-2lambda4-benzo[c]isothiazol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

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(E/Z)-N-[2-(Diethylamino)ethyl]-5-[(5-fluoro-2-methyl-2-oxido-3H-2lambda4-benzo[c]isothiazol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SpectraBase Compound ID B4rmsPBzwHa
InChI InChI=1S/C22H29FN4O2S/c1-6-27(7-2)11-10-24-22(28)21-14(3)19(25-15(21)4)13-20-17-12-16(23)8-9-18(17)26-30(20,5)29/h8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,28)
InChIKey ANWTXIOGDFGBRK-UHFFFAOYSA-N
Mol Weight 432.56 g/mol
Molecular Formula C22H29FN4O2S
Exact Mass 432.199526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdTbmmFXx3Y
Name (E/Z)-N-[2-(Diethylamino)ethyl]-5-[(5-fluoro-2-methyl-2-oxido-3H-2lambda4-benzo[c]isothiazol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29FN4O2S
InChI InChI=1S/C22H29FN4O2S/c1-6-27(7-2)11-10-24-22(28)21-14(3)19(25-15(21)4)13-20-17-12-16(23)8-9-18(17)26-30(20,5)29/h8-9,12-13,25H,6-7,10-11H2,1-5H3,(H,24,28)
InChIKey ANWTXIOGDFGBRK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600823
Molecular Weight 432.558 g/mol
SMILES [nH]1c(c(C(NCCN(CC)CC)=O)c(c1C=C1c2c(N=S1(=O)C)ccc(c2)F)C)C
SPLASH splash10-000i-9000000000-7fb32fe0f55050ad5ac8
Source of Spectrum ASC-358-3649/SM21-(E/Z)_15b
Synonyms N-(2-(diethylamino)ethyl)-5-((5-fluoro-2-methyl-2-oxido-3H-2lambda4-benzo[c]isothiazol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
Wiley ID 1803470