Diethyl 2-(isobutylamino)-3,4-thiophenedicarboxylate (CHEBI:188654)

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CHEBI:188654 - Diethyl 2-(isobutylamino)-3,4-thiophenedicarboxylate

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ChEBI ID	CHEBI:188654
ChEBI Name	Diethyl 2-(isobutylamino)-3,4-thiophenedicarboxylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H21NO4S
Net Charge	0
Average Mass	299.392
Monoisotopic Mass	299.11913
SMILES	CCOC(=O)c1csc(NCC(C)C)c1C(=O)OCC
InChI	InChI=1S/C14H21NO4S/c1-5-18-13(16)10-8-20-12(15-7-9(3)4)11(10)14(17)19-6-2/h8-9,15H,5-7H2,1-4H3
InChIKey	LDEPYDRGZJLSMK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Diethyl 2-(isobutylamino)-3,4-thiophenedicarboxylate (CHEBI:188654) is a thiophenecarboxylic acid (CHEBI:48436)

IUPAC Name
diethyl 2-(2-methylpropylamino)thiophene-3,4-dicarboxylate

Manual Xrefs	Databases
4445696	ChemSpider