CAS Registry Number: 102123-28-4

Name:

2-​Thiophenecarboxylic acid, 3-​amino-​4-​cyano-​, methyl ester
3-​Amino-​4-​cyano-​2-​methoxycarbonylthiop​hene; Methyl 3-​amino-​4-​cyano-​2-​thiophenecarboxylate 

Chemical Formula: C7H6N2O2S
Exact Mass: 182.01
Molecular Weight: 182.20
m/z: 182.01 (100.0%), 183.02 (7.7%), 184.01 (4.5%), 183.01 (1.5%)
Elemental Analysis: C, 46.14; H, 3.32; N, 15.38; O, 17.56; S, 17.60

InChI: InChI=1S/C7H6N2O2S/c1-11-7(10)6-5(9)4(2-8)3-12-6/h3H,9H2,1H3
InChIKey: AEWVEROSMGRHRG-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C(=CS1)C#N)N

Specification

98%

PCT Int. Appl. (2011), WO 2011100838 A1 20110825.                                 

PCT Int. Appl. (2002), WO 2002026720 A2 20020404.