Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-(2-(3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate (1:1)
RN: 63815-89-4
InChIKey: VAOGCJJGKNIZHB-UHFFFAOYSA-N

Molecular Formula

  • C23-H21-N2-O4-S2.C2-H5-O4-S

Molecular Weight

  • 578.684
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-((3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate

Systematic Names

  • Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-((3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate
  • Thiazolium, 3-(carboxymethyl)-2-(ethylthio)-4,5-dihydro-4-oxo-5-(2-(3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-, ethyl sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 63815-89-4

System Generated Number

  • 0063815894

Molecular Formulas

Molecular Formula

  • C23-H21-N2-O4-S2.C2-H5-O4-S

Molecular Formula Fragments

  • C2-H5-O4-S
  • C23-H21-N2-O4-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H20N2O4S2.C2H6O4S/c1-2-30-23-25(15-21(26)27)22(28)19(31-23)12-13-20-24(14-16-8-4-3-5-9-16)17-10-6-7-11-18(17)29-20;1-2-6-7(3,4)5/h3-13H,2,14-15H2,1H3;2H2,1H3,(H,3,4,5)

InChIKey

VAOGCJJGKNIZHB-UHFFFAOYSA-N

Smiles

[N+]1(=C(SC(\C1=O)=C/C=C1/N(c2ccccc2O1)Cc1ccccc1)SCC)CC(=O)O.S(=O)(=O)(OCC)[O-]