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2-[(1-mesylindoline-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID Ltb84rDwHhO
InChI InChI=1S/C21H24N2O5S2/c1-3-28-21(25)18-15-6-4-5-7-17(15)29-20(18)22-19(24)14-8-9-16-13(12-14)10-11-23(16)30(2,26)27/h8-9,12H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKey ZSBMXTOFYKXVOT-UHFFFAOYSA-N
Mol Weight 448.55 g/mol
Molecular Formula C21H24N2O5S2
Exact Mass 448.112664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uDFZQdXaDp
Name 2-[(1-mesylindoline-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
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Formula C21H24N2O5S2
InChI InChI=1S/C21H24N2O5S2/c1-3-28-21(25)18-15-6-4-5-7-17(15)29-20(18)22-19(24)14-8-9-16-13(12-14)10-11-23(16)30(2,26)27/h8-9,12H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKey ZSBMXTOFYKXVOT-UHFFFAOYSA-N
Molecular Weight 448.552 g/mol
SMILES N(c1sc2c(c1C(OCC)=O)CCCC2)C(=O)c1ccc2c(c1)CCN2S(=O)(C)=O
SPLASH splash10-00di-5980000000-831733808be733c2c3b4
Synonyms 2-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-({[1-(methylsulfonyl)-2,3-dihydro-1H-indol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(1-methylsulfonylindoline-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1512431