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CHEBI:113163 - 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester

ChEBI IDCHEBI:113163
ChEBI Name2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester
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FormulaC17H16ClN3O4S2
Net Charge0
Average Mass425.919
Monoisotopic Mass425.02708
SMILESCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H16ClN3O4S2/c1-25-12(22)8-10-15(23)19-6-7-21(10)17(26)20-16(24)14-13(18)9-4-2-3-5-11(9)27-14/h2-5,10H,6-8H2,1H3,(H,19,23)(H,20,24,26)
InChIKeyADOLTVMTEATKJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester (CHEBI:113163) has functional parent α-amino acid (CHEBI:33704)
2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester (CHEBI:113163) is a organonitrogen compound (CHEBI:35352)
2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester (CHEBI:113163) is a organooxygen compound (CHEBI:36963)
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