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CHEBI:74935 - methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate

ChEBI IDCHEBI:74935
ChEBI Namemethyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
Stars
ASCII Namemethyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
DefinitionAn alkyl cyanoacetate ester that is methyl cyanoacetate with a 1,3-benzothiazol-2(3H)-ylidene substituent at position 2.
Last Modified3 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC11H8N2O2S
Net Charge0
Average Mass232.264
Monoisotopic Mass232.03065
SMILESCOC(=O)/C(C#N)=C1\Nc2ccccc2S1
InChIInChI=1S/C11H8N2O2S/c1-15-11(14)7(6-12)10-13-8-4-2-3-5-9(8)16-10/h2-5,13H,1H3/b10-7+
InChIKeySEIUOPPGQAMYGB-JXMROGBWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate (CHEBI:74935) has functional parent methyl cyanoacetate (CHEBI:51928)
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate (CHEBI:74935) has role metabolite (CHEBI:25212)
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate (CHEBI:74935) is a benzothiazoles (CHEBI:37947)
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate (CHEBI:74935) is a methyl ester (CHEBI:25248)
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate (CHEBI:74935) is a nitrile (CHEBI:18379)
IUPAC Name 
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
Synonyms  Source
methyl (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetateChEBI
AC1NRZ8NChEBI
Registry NumbersSources
Reaxys:3552564Reaxys