t-Butyl 2-[3',3'-dicyano-2'-(4"-methylphenyl)allylidene]-5-methylenethiazole-3-carboxylate

SpectraBase Compound ID	8RZ8K0wXYPs
InChI	InChI=1S/C21H21N3O2S/c1-14-6-8-17(9-7-14)18(10-16(11-22)12-23)19-24(13-15(2)27-19)20(25)26-21(3,4)5/h6-10H,2,13H2,1,3-5H3/b19-18+
InChIKey	GVDIAZYQGWUKAP-VHEBQXMUSA-N Google Search
Mol Weight	379.48 g/mol
Molecular Formula	C21H21N3O2S
Exact Mass	379.135448 g/mol

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SpectraBase Spectrum ID	90e558jibVw
Name	t-Butyl 2-[3',3'-dicyano-2'-(4"-methylphenyl)allylidene]-5-methylenethiazole-3-carboxylate
Alternate Name(s)	tert-butyl (2E)-2-[3,3-dicyano-1-(4-methylphenyl)-2-propenylidene]-5-methylene-1,3-thiazolidine-3-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21N3O2S
InChI	InChI=1S/C21H21N3O2S/c1-14-6-8-17(9-7-14)18(10-16(11-22)12-23)19-24(13-15(2)27-19)20(25)26-21(3,4)5/h6-10H,2,13H2,1,3-5H3/b19-18+
InChIKey	GVDIAZYQGWUKAP-VHEBQXMUSA-N
Molecular Weight	379.478 g/mol
SMILES	C(\C(=C\1N(CC(S1)=C)C(OC(C)(C)C)=O)c1ccc(cc1)C)=C(C#N)C#N
SPLASH	splash10-004i-0091000000-db6f4cfb8fe21b85603c
Source of Spectrum	Y-33-1794-8
Wiley ID	1359278