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

ChEBI IDCHEBI:52119
ChEBI Name3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
Stars
ASCII Name3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
Last Modified17 October 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC21H17N3O2S
Net Charge0
Average Mass375.453
Monoisotopic Mass375.10415
SMILESCCN(CC)c1ccc2c(C#N)c(-c3nc4ccccc4s3)c(=O)oc2c1
InChIInChI=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
InChIKeyNDKYYKABKLOOAP-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Macrolex Fluorescence Red GChEBI
2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-(diethylamino)-2-oxo-ChemIDplus
Registry NumbersSources
Beilstein:1035977Beilstein
CAS:70546-25-7ChemIDplus