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2-(2-cyano-acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID CYbVyKRefgZ
InChI InChI=1S/C14H16N2O3S/c1-2-19-14(18)12-9-5-3-4-6-10(9)20-13(12)16-11(17)7-8-15/h2-7H2,1H3,(H,16,17)
InChIKey XSGAVIASOGNJDJ-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeLQ6k4jZPu
Name 2-(2-cyano-acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[(2-cyano-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(2-cyanoacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate Ethyl 2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-(2-cyanoethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-2-19-14(18)12-9-5-3-4-6-10(9)20-13(12)16-11(17)7-8-15/h2-7H2,1H3,(H,16,17)
InChIKey XSGAVIASOGNJDJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000165
Molecular Weight 292.353 g/mol
SMILES N(c1sc2c(CCCC2)c1C(OCC)=O)C(CC#N)=O
SPLASH splash10-066r-9370000000-92b94b26c0afbab5f4e4
Source of Spectrum APC-344-174-2
Wiley ID 1769210