2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107099)

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ChEBI Name	2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester

ChEBI ID	CHEBI:107099

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

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Formulae

C15H19N3O4S2
C15H19N3O4S2

Net Charge

Average Mass

369.462

Monoisotopic Mass

369.08170

InChI

InChI=1S/C15H19N3O4S2/c1-9(2)22-12(19)8-10-13(20)16-5-6-18(10)15(23)17-14(21)11-4-3-7-24-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,20)(H,17,21,23)

InChIKey

IWJZMWXXLWXWNA-UHFFFAOYSA-N

SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CS2

ChEBI Ontology
Outgoing	2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107099) is a isopropyl ester (CHEBI:35725) 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester (CHEBI:107099) is a piperazines (CHEBI:26144)

Last Modified

09 March 2018