2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acid
CAS Registry Number®
793727-60-3
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CAS Name
2-[[2-[(1-Methylethyl)amino]-2-oxoethyl]thio]benzoic acidMolecular Formula
C12H15NO3SMolecular Mass
253.32Cite 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 ) (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
