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Substance Name: 7-Amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin
RN: 113251-07-3
InChIKey: IYKLQEMQEGWXOQ-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-Cl-N3-O3-S

Molecular Weight

  • 327.7906
 
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Names and Synonyms

Name of Substance

  • 7-Amino-4-chloro-3-(3-isothiureidopropoxy)isocoumarin

Synonyms

  • 3-((7-Amino-4-chloro-1-oxo-1H-2-benzopyran-3-yl)oxy)propyl carbamimidothioate
  • Acitic

Systematic Name

  • Carbamimidothioic acid, 3-((7-amino-4-chloro-1-oxo-1H-2-benzopyran-3-yl)oxy)propyl ester

Registry Numbers

CAS Registry Number

  • 113251-07-3

System Generated Number

  • 0113251073

Structure Descriptors

InChI

1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-4-1-5-21-13(16)17/h2-3,6H,1,4-5,15H2,(H3,16,17)

InChIKey

IYKLQEMQEGWXOQ-UHFFFAOYSA-N

Smiles

c1cc2c(cc1N)c(=O)oc(c2Cl)OCCCSC(=N)N