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2-[(5-bromo-2-furoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 9OED3O1wmN2
InChI InChI=1S/C17H18BrNO4S/c1-3-22-17(21)14-10-5-4-9(2)8-12(10)24-16(14)19-15(20)11-6-7-13(18)23-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKey DWUBPYHLAKAGSW-UHFFFAOYSA-N
Mol Weight 412.3 g/mol
Molecular Formula C17H18BrNO4S
Exact Mass 411.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ap6dAH7yQEL
Name 2-[(5-bromo-2-furoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
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Formula C17H18BrNO4S
InChI InChI=1S/C17H18BrNO4S/c1-3-22-17(21)14-10-5-4-9(2)8-12(10)24-16(14)19-15(20)11-6-7-13(18)23-11/h6-7,9H,3-5,8H2,1-2H3,(H,19,20)
InChIKey DWUBPYHLAKAGSW-UHFFFAOYSA-N
Molecular Weight 412.298 g/mol
SMILES N(c1c(c2CCC(Cc2s1)C)C(=O)OCC)C(c1oc(Br)cc1)=O
SPLASH splash10-03mr-4942300000-0308f7fa444d17556589
Synonyms 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1461193