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

*Links on SpectraBase are not permalinks.
3-(5-Chloro-benzo[b]thiophen-3-yl)-2-(5-chloro-thiophene-2-sulfonylamino)-propionic acid methyl ester
SpectraBase Compound ID 9jc2OnLC74H
InChI InChI=1S/C16H13Cl2NO4S3/c1-23-16(20)12(19-26(21,22)15-5-4-14(18)25-15)6-9-8-24-13-3-2-10(17)7-11(9)13/h2-5,7-8,12,19H,6H2,1H3
InChIKey ZSXGBKCZNPULCW-UHFFFAOYSA-N
Mol Weight 450.37 g/mol
Molecular Formula C16H13Cl2NO4S3
Exact Mass 448.938377 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 MljW4sB90Y
Name 3-(5-Chloro-benzo[b]thiophen-3-yl)-2-(5-chloro-thiophene-2-sulfonylamino)-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl2NO4S3
InChI InChI=1S/C16H13Cl2NO4S3/c1-23-16(20)12(19-26(21,22)15-5-4-14(18)25-15)6-9-8-24-13-3-2-10(17)7-11(9)13/h2-5,7-8,12,19H,6H2,1H3
InChIKey ZSXGBKCZNPULCW-UHFFFAOYSA-N
Molecular Weight 450.369 g/mol
SMILES N(S(c1sc(Cl)cc1)(=O)=O)C(Cc1c2c(ccc(c2)Cl)sc1)C(=O)OC
SPLASH splash10-001i-4910000000-5c388b160e1c4e51e51e
Synonyms Methyl 3-(5-chloro-1-benzothien-3-yl)-2-{[(5-chloro-2-thienyl)sulfonyl]amino}propanoate
Wiley ID 1437556