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

*Links on SpectraBase are not permalinks.
5-Amino-2(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-methoxy-phenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID FCmGe6DOjEW
InChI InChI=1S/C22H20N4O2S2/c1-27-12-8-6-11(7-9-12)16-14(10-23)19(24)28-21-18(16)30-22(26-21)17-13-4-2-3-5-15(13)29-20(17)25/h6-9,16H,2-5,24-25H2,1H3
InChIKey RQYGLWFLKAHQBO-UHFFFAOYSA-N
Mol Weight 436.55 g/mol
Molecular Formula C22H20N4O2S2
Exact Mass 436.102768 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 GwJcKZTGstW
Name 5-Amino-2(2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-7-(4-methoxy-phenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Pale yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O2S2
InChI InChI=1S/C22H20N4O2S2/c1-27-12-8-6-11(7-9-12)16-14(10-23)19(24)28-21-18(16)30-22(26-21)17-13-4-2-3-5-15(13)29-20(17)25/h6-9,16H,2-5,24-25H2,1H3
InChIKey RQYGLWFLKAHQBO-UHFFFAOYSA-N
Instrument Name Hewlett Packard 5988 and Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3697
Molecular Weight 436.548 g/mol
SMILES NC1=C(C(c2sc(-c3c4CCCCc4sc3N)nc2O1)c1ccc(OC)cc1)C#N
SPLASH splash10-0udi-0900000000-8609294f3e5b5d049827
Source of Spectrum Y-56-3022-2c
Wiley ID 1859331