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3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 5nYHB67E0cX
InChI InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey MMTQPFJGLBVICG-UHFFFAOYSA-N
Mol Weight 430.49 g/mol
Molecular Formula C20H18N2O5S2
Exact Mass 430.065714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SIAgCFzIa0
Name 3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O5S2
InChI InChI=1S/C20H18N2O5S2/c1-3-27-20(24)19-18(21-12(2)23)17-15(28-11-13-7-5-4-6-8-13)9-14(22(25)26)10-16(17)29-19/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKey MMTQPFJGLBVICG-UHFFFAOYSA-N
Molecular Weight 430.493 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)SCc1ccccc1)C(=O)OCC)C(=O)C
SPLASH splash10-0006-9111000000-8ed58097407697cea73c
Synonyms 3-Acetamido-6-nitro-4-(phenylmethylthio)-1-benzothiophene-2-carboxylic acid ethyl ester Ethyl 3-(acetylamino)-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4-benzylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Ethyl 3-acetamido-4-benzylsulfanyl-6-nitro-benzothiophene-2-carboxylate Ethyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate
Wiley ID 1464862