CAS Registry Number: 912635-72-4

Name:

Thiopyrano[4,​3-​c]​pyrazole-​3-​carboxylic acid, 1,​4,​6,​7-​tetrahydro-​, ethyl ester
1,​4,​6,​7-​Tetrahydrothiopyrano​[4,​3-​c]​pyrazole-​3-​carboxylic acid ethyl ester 

Chemical Formula: C9H12N2O2S
Exact Mass: 212.06
Molecular Weight: 212.27
m/z: 212.06 (100.0%), 213.07 (9.9%), 214.06 (4.7%), 213.06 (1.5%)
Elemental Analysis: C, 50.92; H, 5.70; N, 13.20; O, 15.07; S, 15.11

InChI: InChI=1S/C8H10N2O2S/c1-12-8(11)7-5-4-13-3-2-6(5)9-10-7/h2-4H2,1H3,(H,9,10)
InChIKey: HDDWSXTYEYBZLF-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NNC2=C1CSCC2

Specification

98%

PCT Int. Appl. (2006), WO 2006108488 A1 20061019.                                 

Chemistry - A European Journal (2013), 19(23), 7555-7560.