CAS Registry Number 117390-38-2
Name:
Thieno[2,​3-​b]​pyridine-​5-​carboxylic acid

Chemical Formula: C8H5NO2S
Exact Mass: 179.00
Molecular Weight: 179.20
m/z: 179.00 (100.0%), 180.01 (8.8%), 181.00 (4.6%), 180.00 (1.2%)

InChI: InChI=1S/C26H30ClN9O2/c1-26(2,3)20-13-21(34-38-20)32-24(37)16-6-7-17(27)18(12-16)31-23-22-19(29-15-30-23)14-28-25(33-22)36-9-5-8-35(4)10-11-36/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,31)(H,32,34,37)
InChIKey: TZCXPYLFGYVSHZ-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)C1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)Cl)NC3=NC=NC4=CN=C(N=C43)N5CCCN(CC5)C

Specification

98%

1. (1) Cazin, J.; Tetrahedron 1988, V44(4), P1079-90 CAPLUS