CAS Registry Number: 168618-63-1

Name:

Benzoic acid, 3-​(2-​thiazolyl)​-​, methyl ester
Methyl 3-​(1,​3-​thiazol-​2-​yl)​benzoate 

Chemical Formula: C11H9NO2S
Exact Mass: 219.04
Molecular Weight: 219.26
m/z: 219.04 (100.0%), 220.04 (12.1%), 221.03 (4.5%), 221.04 (1.2%), 220.03 (1.2%)
Elemental Analysis: C, 60.26; H, 4.14; N, 6.39; O, 14.59; S, 14.62

InChI: InChI=1S/C11H9NO2S/c1-14-11(13)9-4-2-3-8(7-9)10-12-5-6-15-10/h2-7H,1H3
InChIKey: YXIVASOYIRWGFB-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=CC(=C1)C2=NC=CS2

Specification

98%

PCT Int. Appl. (2006), WO 2006067445 A2 20060629.

PCT Int. Appl. (2006), WO 2006067446 A1 20060629.