CAS Registry Number: 22913-24-2

Name:

Benzo[b]​thiophene-​2-​carboxylic acid, methyl ester
2-​(Methoxycarbonyl)​benzo[b]​thiophene; Methyl 2-​benzothiophenecarbox​ylate; Methyl benzo[b]​thiophene-​2-​carboxylate 

Chemical Formula: C10H8O2S
Exact Mass: 192.02
Molecular Weight: 192.23
m/z: 192.02 (100.0%), 193.03 (11.0%), 194.02 (4.5%), 194.03 (1.0%)
Elemental Analysis: C, 62.48; H, 4.19; O, 16.65; S, 16.68

InChI: InChI=1S/C10H8O2S/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChIKey: KRRAZMUPVIGDCU-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC2=CC=CC=C2S1

Specification

98%

1. (1) Pessoa-Mahana, Hernan; Heterocycles 2008, V75(8, 7/30/08), P1913-1929 CAPLUS
2. (2) Mezlova, Marie; Collection of Czechoslovak Chemical Communications 2003, V68(5), P1020-1038 CAPLUS
3. (3) Uhr, Hermann; DE 4420922 A1 1995 CAPLUS
4. (4) Valderrama, Jaime A.; Heterocyclic Communications 2005, V11(1), P85-88 CAPLUS