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Substance Name: Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-ethoxy-, methyl ester, monohydrochloride
RN: 42024-62-4
InChIKey: MNSYGTRIMGWWEG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H18-N2-O3-S.Cl-H

Molecular Weight

  • 318.823
 
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Names and Synonyms

Synonym

  • 3-(((Aminoiminomethyl)thio)methyl)-4-ethoxybenzeneacetic acid methyl ester monohydrochloride

Systematic Name

  • Benzeneacetic acid, 3-(((aminoiminomethyl)thio)methyl)-4-ethoxy-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 42024-62-4

System Generated Number

  • 0042024624

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C13-H18-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O3S.ClH/c1-3-18-11-5-4-9(7-12(16)17-2)6-10(11)8-19-13(14)15;/h4-6H,3,7-8H2,1-2H3,(H3,14,15);1H

InChIKey

MNSYGTRIMGWWEG-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)CC(OC)=O)OCC)CSC(N)=[NH+].[ClH-]