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Substance Name: 2-(3-(3-Ethylthiazolidin-2-ylidene)prop-1-enyl)-3-(2-((methylsulphonato)amino)-2-oxoethyl)benzothiazolium
RN: 85006-15-1
InChIKey: MNHGQWIRCHGDKY-YSHGCIIHSA-N

Molecular Formula

  • C18-H21-N3-O3-S3

Molecular Weight

  • 443.6105
 
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Names and Synonyms

Synonym

  • EINECS 285-044-0

Systematic Name

  • 2-(3-(3-Ethylthiazolidin-2-ylidene)prop-1-enyl)-3-(2-((methylsulphonato)amino)-2-oxoethyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 85006-15-1

System Generated Number

  • 0085006151

Structure Descriptors

InChI

1S/C17H21N3O4S3.CH4/c1-2-19-10-11-25-16(19)8-5-9-17-20(12-15(21)18-27(22,23)24)13-6-3-4-7-14(13)26-17;/h3-9,17H,2,10-12H2,1H3,(H,18,21)(H,22,23,24);1H4/b9-5+,16-8-;

InChIKey

MNHGQWIRCHGDKY-YSHGCIIHSA-N

Smiles

C.CCN1CCS/C/1=C\C=C\C2[SH+]c3ccccc3N2CC(=O)NS(=O)(=O)[O-]