diethyl 2-{[2-(2-thienylcarbonyl)hydrazino]methylidene}malonate (CHEBI:228451)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	diethyl 2-{[2-(2-thienylcarbonyl)hydrazino]methylidene}malonate

ChEBI ID	CHEBI:228451

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C13H16N2O5S

Net Charge

Average Mass

312.340

Monoisotopic Mass

312.07799

InChI

InChI=1S/C13H16N2O5S/c1-3-19-12(17)9(13(18)20-4-2)8-14-15-11(16)10-6-5-7-21-10/h5-8,14H,3-4H2,1-2H3,(H,15,16)

InChIKey

GZTCRGNSYPZNAS-UHFFFAOYSA-N

SMILES

S1C(C(=O)NNC=C(C(OCC)=O)C(OCC)=O)=CC=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	diethyl 2-{[2-(2-thienylcarbonyl)hydrazino]methylidene}malonate (CHEBI:228451) is a aromatic amide (CHEBI:62733) diethyl 2-{[2-(2-thienylcarbonyl)hydrazino]methylidene}malonate (CHEBI:228451) is a thiophenes (CHEBI:26961)

IUPAC Name

diethyl 2-[[2-(thiophene-2-carbonyl)hydrazinyl]methylidene]propanedioate