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Substance Name: (6R-trans)-1-((2-Carboxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium thiocyanate
RN: 10353-05-6
InChIKey: LPLXQTKHCISMBB-KQKCUOLZSA-N

Molecular Formula

  • C19-H18-N3-O4-S2.C-N-S

Molecular Weight

  • 474.5842
 
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Names and Synonyms

Synonym

  • EINECS 233-770-3

Systematic Name

  • (6R-trans)-1-((2-Carboxy-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)pyridinium thiocyanate

Registry Numbers

CAS Registry Number

  • 10353-05-6

System Generated Number

  • 0010353056

Molecular Formulas

Molecular Formula

  • C19-H18-N3-O4-S2.C-N-S

Molecular Formula Fragments

  • C-N-S
  • C19-H18-N3-O4-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H17N3O4S2.CHNS/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;2-1-3/h1-8,15,18H,9-11H2,(H-,20,23,25,26);3H/t15-,18-;/m1./s1

InChIKey

LPLXQTKHCISMBB-KQKCUOLZSA-N

Smiles

c1cc[n+](cc1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cc4cccs4)SC2)C(=O)O.C(#N)[S-]