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Benzo[b]thiophene-3-carboxylic acid, 2-acetylamino-7-hydroxy-6-phenylsulfanyl-, ethyl ester
SpectraBase Compound ID 3sHCSvjWHSf
InChI InChI=1S/C19H17NO4S2/c1-3-24-19(23)15-13-9-10-14(25-12-7-5-4-6-8-12)16(22)17(13)26-18(15)20-11(2)21/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKey UHPCKDBBKUZXDE-UHFFFAOYSA-N
Mol Weight 387.47 g/mol
Molecular Formula C19H17NO4S2
Exact Mass 387.0599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGY9Zra78kM
Name Benzo[b]thiophene-3-carboxylic acid, 2-acetylamino-7-hydroxy-6-phenylsulfanyl-, ethyl ester
Alternate Name(s) 2-Acetamido-7-hydroxy-6-(phenylthio)-1-benzothiophene-3-carboxylic acid ethyl ester 2-Acetamido-7-hydroxy-6-(phenylthio)benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-(acetylamino)-7-hydroxy-6-(phenylsulfanyl)-1-benzothiophene-3-carboxylate Ethyl 2-acetamido-7-hydroxy-6-phenylsulfanyl-1-benzothiophene-3-carboxylate Ethyl 2-acetamido-7-hydroxy-6-phenylsulfanyl-benzothiophene-3-carboxylate Ethyl 2-acetamido-7-oxidanyl-6-phenylsulfanyl-1-benzothiophene-3-carboxylate
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Formula C19H17NO4S2
InChI InChI=1S/C19H17NO4S2/c1-3-24-19(23)15-13-9-10-14(25-12-7-5-4-6-8-12)16(22)17(13)26-18(15)20-11(2)21/h4-10,22H,3H2,1-2H3,(H,20,21)
InChIKey UHPCKDBBKUZXDE-UHFFFAOYSA-N
Molecular Weight 387.468 g/mol
SMILES Oc1c(ccc2c(c(sc12)NC(=O)C)C(=O)OCC)Sc1ccccc1
SPLASH splash10-0007-9873000000-0c727ce04f2a714d8b36
Wiley ID 1437698