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2-[[4-(tetrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID FO30SjtRtpZ
InChI InChI=1S/C19H19N5O3S/c1-2-27-19(26)16-14-5-3-4-6-15(14)28-18(16)21-17(25)12-7-9-13(10-8-12)24-11-20-22-23-24/h7-11H,2-6H2,1H3,(H,21,25)
InChIKey FHUIDUXZHWZMJE-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C19H19N5O3S
Exact Mass 397.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ouHBpiPor7
Name 2-[[4-(tetrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[oxo-[4-(1-tetrazolyl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[4-(tetrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[4-(tetrazol-1-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
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Formula C19H19N5O3S
InChI InChI=1S/C19H19N5O3S/c1-2-27-19(26)16-14-5-3-4-6-15(14)28-18(16)21-17(25)12-7-9-13(10-8-12)24-11-20-22-23-24/h7-11H,2-6H2,1H3,(H,21,25)
InChIKey FHUIDUXZHWZMJE-UHFFFAOYSA-N
Molecular Weight 397.453 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(c1ccc(-[n]2nnnc2)cc1)=O
SPLASH splash10-0005-8910000000-9fa2018f3126afce2028
Wiley ID 1457886