2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid

CAS Registry Number®

793727-60-3

CAS Name

2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid

Molecular Formula

C12H15NO3S

Molecular Mass

253.32

Cite this Page

2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=793727-60-3 (retrieved 2024-11-22) (CAS RN: 793727-60-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15NO3S/c1-8(2)13-11(14)7-17-10-6-4-3-5-9(10)12(15)16/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)

InChIKey

InChIKey=AUFOOQXJWXGQLB-UHFFFAOYSA-N

SMILES

S(CC(NC(C)C)=O)C1=C(C(O)=O)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1SCC(=O)NC(C)C

Other Names for this Substance

  • Benzoic acid, 2-[[2-[(1-methylethyl)amino]-2-oxoethyl]thio]-
  • 2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid

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