4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)-2-methylphenyl]-, 1,1-dioxide

SpectraBase Compound ID	42hXl5823LR
InChI	InChI=1S/C18H16BrNO3S/c1-11-10-12(20(2)3)8-9-13(11)18-16(19)17(21)14-6-4-5-7-15(14)24(18,22)23/h4-10H,1-3H3
InChIKey	QGKKNJKCYHKKBC-UHFFFAOYSA-N Google Search
Mol Weight	406.29 g/mol
Molecular Formula	C18H16BrNO3S
Exact Mass	405.003428 g/mol

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SpectraBase Spectrum ID	5VNrZWYdxWx
Name	4H-1-Benzothiopyran-4-one, 3-bromo-2-[4-(dimethylamino)-2-methylphenyl]-, 1,1-dioxide
CAS Registry Number	116884-78-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H16BrNO3S
InChI	InChI=1S/C18H16BrNO3S/c1-11-10-12(20(2)3)8-9-13(11)18-16(19)17(21)14-6-4-5-7-15(14)24(18,22)23/h4-10H,1-3H3
InChIKey	QGKKNJKCYHKKBC-UHFFFAOYSA-N
Molecular Weight	406.294 g/mol
SMILES	C=1(S(c2c(C(C1Br)=O)cccc2)(=O)=O)c1c(cc(cc1)N(C)C)C
SPLASH	splash10-0a59-0081900000-df31bcfaba3304f65bd5
Source of Spectrum	KC-1988-1832-3
Synonyms	3-Bromo-2-(2'-methyl-4'-dimethylaminophenyl)-4H-1-benzothiopyran-4-one 1,1-dioxide 3-Bromo-2-[4-(dimethylamino)-2-methylphenyl]-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-(3',5'-dimethylphenyl-methyl-amino)-1-benzothiopyran 1,1-dioxide
Wiley ID	1371672