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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester
organooxygen compound > 2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester

Preferred term

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

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H16ClN3O4S2

has_functional_parent

inchi

  • InChI=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)

inchikey

  • ADOLTVMTEATKJU-UHFFFAOYSA-N

mass

  • 425.912

monoisotopicmass

  • 425.02708

smiles

  • COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113163

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