CAS Registry Number: 67171-55-5

Name:

3-​Thiophenecarboxylic acid, 2-​amino-​4-​phenyl-​, methyl ester
2-​Amino-​4-​phenylthiophene-​3-​carboxylic acid methyl ester 

Chemical Formula: C12H11NO2S
Exact Mass: 233.05
Molecular Weight: 233.29
m/z: 233.05 (100.0%), 234.05 (14.1%), 235.05 (4.7%), 235.06 (1.2%)
Elemental Analysis: C, 61.78; H, 4.75; N, 6.00; O, 13.72; S, 13.74

InChI: InChI=1S/C12H11NO2S/c1-15-12(14)10-9(7-16-11(10)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey: KHNSKPUYBBZGLW-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(SC=C1C2=CC=CC=C2)N

Specification

98%

1. (1) Mobinikhaledi, A.; Asian Journal of Chemistry 2010, V22(9), P7399-7404 CAPLUS
2. (2) Nielsen, Knud Erik; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1978, VB32(4), P303-5 CAPLUS