3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate

CAS Registry Number®

850021-39-5

CAS Name

3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate

Molecular Formula

C11H11N3O4S

Molecular Mass

281.29

Cite this Page

3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=850021-39-5 (retrieved 2024-11-22) (CAS RN: 850021-39-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H11N3O4S/c1-2-18-11(17)7-3-6(4-12)10(14-9(7)13)19-5-8(15)16/h3H,2,5H2,1H3,(H2,13,14)(H,15,16)

InChIKey

InChIKey=MDMCTGJEADKMHO-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C=1C=C(C#N)C(SCC(O)=O)=NC1N

Canonical SMILES

N#CC=1C=C(C(=O)OCC)C(=NC1SCC(=O)O)N

Other Names for this Substance

  • 3-Pyridinecarboxylic acid, 2-amino-6-[(carboxymethyl)thio]-5-cyano-, 3-ethyl ester
  • 3-Ethyl 2-amino-6-[(carboxymethyl)thio]-5-cyano-3-pyridinecarboxylate

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