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4-[(3-carbethoxy-7-keto-5,6-dihydro-4H-benzothiophen-2-yl)amino]-4-keto-butyric acid
SpectraBase Compound ID 21fc0GmrRCo
InChI InChI=1S/C15H17NO6S/c1-2-22-15(21)12-8-4-3-5-9(17)13(8)23-14(12)16-10(18)6-7-11(19)20/h2-7H2,1H3,(H,16,18)(H,19,20)
InChIKey TUFDZUKIWRSOSQ-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C15H17NO6S
Exact Mass 339.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8Nn9al5CMm
Name 4-[(3-carbethoxy-7-keto-5,6-dihydro-4H-benzothiophen-2-yl)amino]-4-keto-butyric acid
Alternate Name(s) 4-[(3-ethoxycarbonyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid 4-[(3-ethoxycarbonyl-7-oxo-5,6-dihydro-4H-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid 4-[(3-ethoxycarbonyl-7-oxo-5,6-dihydro-4H-benzothiophen-2-yl)amino]-4-oxo-butanoic acid 4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
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Formula C15H17NO6S
InChI InChI=1S/C15H17NO6S/c1-2-22-15(21)12-8-4-3-5-9(17)13(8)23-14(12)16-10(18)6-7-11(19)20/h2-7H2,1H3,(H,16,18)(H,19,20)
InChIKey TUFDZUKIWRSOSQ-UHFFFAOYSA-N
Molecular Weight 339.362 g/mol
SMILES N(c1c(c2CCCC(c2s1)=O)C(=O)OCC)C(CCC(=O)O)=O
SPLASH splash10-000l-8940000000-a89a116f3e78b27538a7
Wiley ID 1453522