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2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8mE8yvw5chD
InChI InChI=1S/C22H24N4O3S3/c1-3-11-26-19(16-10-7-12-30-16)24-25-22(26)31-13-17(27)23-20-18(21(28)29-4-2)14-8-5-6-9-15(14)32-20/h3,7,10,12H,1,4-6,8-9,11,13H2,2H3,(H,23,27)
InChIKey FQUFOGSHJROMEC-UHFFFAOYSA-N
Mol Weight 488.64 g/mol
Molecular Formula C22H24N4O3S3
Exact Mass 488.101054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EtNhPMAJV1
Name 2-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
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Formula C22H24N4O3S3
InChI InChI=1S/C22H24N4O3S3/c1-3-11-26-19(16-10-7-12-30-16)24-25-22(26)31-13-17(27)23-20-18(21(28)29-4-2)14-8-5-6-9-15(14)32-20/h3,7,10,12H,1,4-6,8-9,11,13H2,2H3,(H,23,27)
InChIKey FQUFOGSHJROMEC-UHFFFAOYSA-N
Molecular Weight 488.639 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(CSc1[n](c(nn1)-c1sccc1)CC=C)=O
SPLASH splash10-03di-1790000000-b7a0ce533cdc55142d79
Synonyms 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1464281