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2-[(5-bromo-2-furoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID A2nRO2G7VxI
InChI InChI=1S/C18H20BrNO4S/c1-3-10-5-6-11-13(9-10)25-17(15(11)18(22)23-4-2)20-16(21)12-7-8-14(19)24-12/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKey GHVFYWJGQDTZRH-UHFFFAOYSA-N
Mol Weight 426.33 g/mol
Molecular Formula C18H20BrNO4S
Exact Mass 425.029642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoeidvaRBFK
Name 2-[(5-bromo-2-furoyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(5-bromanylfuran-2-yl)carbonylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C18H20BrNO4S
InChI InChI=1S/C18H20BrNO4S/c1-3-10-5-6-11-13(9-10)25-17(15(11)18(22)23-4-2)20-16(21)12-7-8-14(19)24-12/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKey GHVFYWJGQDTZRH-UHFFFAOYSA-N
Molecular Weight 426.325 g/mol
SMILES N(c1c(c2CCC(Cc2s1)CC)C(=O)OCC)C(c1oc(Br)cc1)=O
SPLASH splash10-00b9-5921100000-63fe3b633c34412249dc
Wiley ID 1457853