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

*Links on SpectraBase are not permalinks.

2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-methoxy-phenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile

View entire compound with spectra: 1 MS (GC)

2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-methoxy-phenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
SpectraBase Compound ID 8QiQ5IfY1Oa
InChI InChI=1S/C22H19N3O3S2/c1-27-12-8-6-11(7-9-12)16-14(10-23)22(26)28-20-18(16)30-21(25-20)17-13-4-2-3-5-15(13)29-19(17)24/h6-9,16,26H,2-5,24H2,1H3
InChIKey JXGHFLRGTKQTDV-UHFFFAOYSA-N
Mol Weight 437.53 g/mol
Molecular Formula C22H19N3O3S2
Exact Mass 437.086784 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 6wPPrGMVZCD
Name 2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-methoxy-phenyl)-7H-pyrano[2,3-d]thiazole-6-carbonitrile
Appearance Pale brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N3O3S2
InChI InChI=1S/C22H19N3O3S2/c1-27-12-8-6-11(7-9-12)16-14(10-23)22(26)28-20-18(16)30-21(25-20)17-13-4-2-3-5-15(13)29-19(17)24/h6-9,16,26H,2-5,24H2,1H3
InChIKey JXGHFLRGTKQTDV-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 437.532 g/mol
SMILES Nc1sc2c(c1-c1nc3OC(=C(C(c3s1)c1ccc(cc1)OC)C#N)O)CCCC2
SPLASH splash10-0a4i-9000000000-076c89e8fdf715685737
Source of Spectrum Y-56-3023-2g
Wiley ID 1859335