1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate

CAS Registry Number®

786728-90-3
No image available.

CAS Name

1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate

Molecular Formula

C14H17NO5S

Molecular Mass

311.35

Cite this Page

1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=786728-90-3 (retrieved 2024-09-09) (CAS RN: 786728-90-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17NO5S/c1-2-20-14(19)10-3-5-11(6-4-10)15-12(16)9-21-8-7-13(17)18/h3-6H,2,7-9H2,1H3,(H,15,16)(H,17,18)

InChIKey

InChIKey=ZNAKYJRRHDQHKE-UHFFFAOYSA-N

SMILES

N(C(CSCCC(O)=O)=O)C1=CC=C(C(OCC)=O)C=C1

Canonical SMILES

O=C(OCC)C1=CC=C(C=C1)NC(=O)CSCCC(=O)O

Other Names for this Substance

  • Benzoic acid, 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]-, 1-ethyl ester
  • Benzoic acid, 4-[[[(2-carboxyethyl)thio]acetyl]amino]-, 1-ethyl ester
  • 1-Ethyl 4-[[2-[(2-carboxyethyl)thio]acetyl]amino]benzoate