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Ethyl 2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
SpectraBase Compound ID E8JwQ7joAli
InChI InChI=1S/C23H25N3O3S/c1-4-29-23(28)20-18-7-5-6-8-19(18)30-22(20)25-21(27)16(14-24)13-15-9-11-17(12-10-15)26(2)3/h9-13H,4-8H2,1-3H3,(H,25,27)/b16-13+
InChIKey XTIDVQNXBAKRNS-DTQAZKPQSA-N
Mol Weight 423.53 g/mol
Molecular Formula C23H25N3O3S
Exact Mass 423.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fjStMXzgF7
Name Ethyl 2-(2-cyano-3-(4-(dimethylamino)phenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Alternate Name(s) 2-[[(E)-2-cyano-3-[4-(dimethylamino)phenyl]-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[(E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C23H25N3O3S
InChI InChI=1S/C23H25N3O3S/c1-4-29-23(28)20-18-7-5-6-8-19(18)30-22(20)25-21(27)16(14-24)13-15-9-11-17(12-10-15)26(2)3/h9-13H,4-8H2,1-3H3,(H,25,27)/b16-13+
InChIKey XTIDVQNXBAKRNS-DTQAZKPQSA-N
Molecular Weight 423.531 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(\C(=C\c1ccc(cc1)N(C)C)C#N)=O
SPLASH splash10-0a6r-1920000000-cfd7ff9c2f1a576d1855
Source of Spectrum Y-48-1284-7a
Wiley ID 1704449