For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID IQdjqQa17bz
InChI InChI=1S/C19H16N2O5S2/c1-11(22)20-17-16-14(27-10-12-6-4-3-5-7-12)8-13(21(24)25)9-15(16)28-18(17)19(23)26-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey DWZMXDXGGCCWBO-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C19H16N2O5S2
Exact Mass 416.050064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GE9adsPSRFK
Name 3-Acetamido-4-(benzylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O5S2
InChI InChI=1S/C19H16N2O5S2/c1-11(22)20-17-16-14(27-10-12-6-4-3-5-7-12)8-13(21(24)25)9-15(16)28-18(17)19(23)26-2/h3-9H,10H2,1-2H3,(H,20,22)
InChIKey DWZMXDXGGCCWBO-UHFFFAOYSA-N
Molecular Weight 416.466 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)SCc1ccccc1)C(=O)OC)C(=O)C
SPLASH splash10-0006-9100000000-579b3cfbec163d8823ff
Synonyms 3-Acetamido-6-nitro-4-(phenylmethylthio)-1-benzothiophene-2-carboxylic acid methyl ester Methyl 3-(acetylamino)-4-(benzylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-acetamido-4-benzylsulfanyl-6-nitro-1-benzothiophene-2-carboxylate Methyl 3-acetamido-4-benzylsulfanyl-6-nitro-benzothiophene-2-carboxylate Methyl 3-acetamido-6-nitro-4-(phenylmethylsulfanyl)-1-benzothiophene-2-carboxylate
Wiley ID 1464861