CAS Registry Number: 82424-54-2

Name:

5-​Isothiazolecarboxyli​c acid, 4-​amino-​3-​(4-​methoxyphenyl)​-​, methyl ester

Chemical Formula: C12H12N2O3S
Exact Mass: 264.06
Molecular Weight: 264.30
m/z: 264.06 (100.0%), 265.06 (14.0%), 266.05 (4.5%), 266.06 (1.6%)
Elemental Analysis: C, 54.53; H, 4.58; N, 10.60; O, 18.16; S, 12.13

InChI: InChI=1S/C12H12N2O3S/c1-16-8-5-3-7(4-6-8)10-9(13)11(18-14-10)12(15)17-2/h3-6H,13H2,1-2H3
InChIKey: YYHKNECMRVXILO-UHFFFAOYSA-N
Canonical SMILES : COC1=CC=C(C=C1)C2=NSC(=C2N)C(=O)OC

Specification

98%

Science of Synthesis (2002), 11, 507-572. 

Journal of Heterocyclic Chemistry (1987), 24(1), 243-5.