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2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-methoxy-phenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-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)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
SpectraBase Compound ID ITyBqz1yRXw
InChI InChI=1S/C22H20N4O2S2/c1-28-12-8-6-11(7-9-12)16-14(10-23)21(27)25-20-18(16)30-22(26-20)17-13-4-2-3-5-15(13)29-19(17)24/h6-9,16,25,27H,2-5,24H2,1H3
InChIKey TYGFFVUOESHXBE-UHFFFAOYSA-N
Mol Weight 436.55 g/mol
Molecular Formula C22H20N4O2S2
Exact Mass 436.102768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mBNsodJEpb
Name 2-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-5-hydroxy-7-(4-methoxy-phenyl)-4,7-dihydrothiazolo[4,5-b]pyridine-6-carbonitrile
Appearance Canary yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O2S2
InChI InChI=1S/C22H20N4O2S2/c1-28-12-8-6-11(7-9-12)16-14(10-23)21(27)25-20-18(16)30-22(26-20)17-13-4-2-3-5-15(13)29-19(17)24/h6-9,16,25,27H,2-5,24H2,1H3
InChIKey TYGFFVUOESHXBE-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 N1C(=C(C(c2c1nc(-c1c3c(sc1N)CCCC3)s2)c1ccc(cc1)OC)C#N)O
SPLASH splash10-0udi-0900000000-8609294f3e5b5d049827
Source of Spectrum Y-56-3026-5g
Wiley ID 1859346