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2-[[4-chloro-2-(tosylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID Eoku1zbSEnK
InChI InChI=1S/C25H25ClN2O5S2/c1-3-33-25(30)22-19-6-4-5-7-21(19)34-24(22)27-23(29)18-13-10-16(26)14-20(18)28-35(31,32)17-11-8-15(2)9-12-17/h8-14,28H,3-7H2,1-2H3,(H,27,29)
InChIKey ITEYVUGLIRVMKJ-UHFFFAOYSA-N
Mol Weight 533.06 g/mol
Molecular Formula C25H25ClN2O5S2
Exact Mass 532.089342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cwH7rF1RGt
Name 2-[[4-chloro-2-(tosylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[[4-chloro-2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[4-chloranyl-2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[4-chloro-2-(p-tolylsulfonylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C25H25ClN2O5S2
InChI InChI=1S/C25H25ClN2O5S2/c1-3-33-25(30)22-19-6-4-5-7-21(19)34-24(22)27-23(29)18-13-10-16(26)14-20(18)28-35(31,32)17-11-8-15(2)9-12-17/h8-14,28H,3-7H2,1-2H3,(H,27,29)
InChIKey ITEYVUGLIRVMKJ-UHFFFAOYSA-N
Molecular Weight 533.057 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(c1c(cc(cc1)Cl)NS(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-004l-9850000000-e366ba0df6087c37d232
Wiley ID 1454437