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

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ChEBI Name methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
ChEBI ID CHEBI:74935
ChEBI ASCII Name methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
Definition An alkyl cyanoacetate ester that is methyl cyanoacetate with a 1,3-benzothiazol-2(3H)-ylidene substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H8N2O2S
Net Charge 0
Average Mass 232.25800
Monoisotopic Mass 232.03065
InChI InChI=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+
InChIKey SEIUOPPGQAMYGB-JXMROGBWSA-N
SMILES COC(=O)C(\C#N)=C1/Nc2ccccc2S1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Sources
AC1NRZ8N ChEBI
methyl (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyanoacetate ChEBI
Registry Number Type Source
3552564 Reaxys Registry Number Reaxys
Last Modified
03 March 2015