CHEBI:52119 - 3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile

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ChEBI Name 3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
ChEBI ID CHEBI:52119
ChEBI ASCII Name 3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H17N3O2S
Net Charge 0
Average Mass 375.44400
Monoisotopic Mass 375.10415
InChI InChI=1S/C21H17N3O2S/c1-3-24(4-2)13-9-10-14-15(12-22)19(21(25)26-17(14)11-13)20-23-16-7-5-6-8-18(16)27-20/h5-11H,3-4H2,1-2H3
InChIKey NDKYYKABKLOOAP-UHFFFAOYSA-N
SMILES CCN(CC)c1ccc2c(C#N)c(-c3nc4ccccc4s3)c(=O)oc2c1
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing 3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile (CHEBI:52119) has role fluorochrome (CHEBI:51217)
3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile (CHEBI:52119) is a 7-aminocoumarins (CHEBI:51769)
3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile (CHEBI:52119) is a benzothiazoles (CHEBI:37947)
IUPAC Name
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-4-carbonitrile
Synonyms Sources
2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-(diethylamino)-2-oxo- ChemIDplus
Macrolex Fluorescence Red G ChEBI
Registry Numbers Types Sources
1035977 Beilstein Registry Number Beilstein
70546-25-7 CAS Registry Number ChemIDplus
Last Modified
17 October 2009