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

*Links on SpectraBase are not permalinks.
3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID 6rMfdkQU9Ve
InChI InChI=1S/C18H14N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h3-9H,1-2H3,(H,19,21)
InChIKey NOGUMYYCACORKW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C18H14N2O5S2
Exact Mass 402.034414 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 EidjfXg5USd
Name 3-Acetamido-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N2O5S2
InChI InChI=1S/C18H14N2O5S2/c1-10(21)19-16-15-13(26-12-6-4-3-5-7-12)8-11(20(23)24)9-14(15)27-17(16)18(22)25-2/h3-9H,1-2H3,(H,19,21)
InChIKey NOGUMYYCACORKW-UHFFFAOYSA-N
Molecular Weight 402.439 g/mol
SMILES N(c1c(sc2cc(N(=O)=O)cc(c12)Sc1ccccc1)C(=O)OC)C(=O)C
SPLASH splash10-0006-9261000000-0c2b42a0c9c4bc4b8eea
Synonyms 3-Acetamido-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid methyl ester Methyl 3-(acetylamino)-6-nitro-4-(phenylsulfanyl)-1-benzothiophene-2-carboxylate Methyl 3-acetamido-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Methyl 3-acetamido-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate
Wiley ID 1462829