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CAS Number: 864265-50-9
tert-butyl 7-chloro-6-mercapto-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate

Structure

 tert-butyl 7-chloro-6-mercapto-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate
Name: tert-butyl 7-chloro-6-mercapto-4,5-dihydro-1H-benzo[d]azepine-3(2H)-carboxylate
Synonyms:
General Information
Product Number: 864265509

CAS Registry Number 864265-50-9
Name:
3H-?3-?Benzazepine-?3-?carboxylic acid, 7-?chloro-?1,?2,?4,?5-?tetrahydro-?6-?mercapto-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C15H20ClNO2S
Exact Mass: 313.09
Molecular Weight: 313.84
m/z: 313.09 (100.0%), 315.09 (37.1%), 314.09 (17.5%), 316.09 (6.3%), 317.08 (1.4%), 315.10 (1.3%)

 

InChI:InChI=1S/C15H20ClNO2S/c1-15(2,3)19-14(18)17-8-6-10-4-5-12(16)13(20)11(10)7-9-17/h4-5,20H,6-9H2,1-3H3

InChI Key:USQYQFAMKKEBEF-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=C(C=C2)Cl)S

Specification

98%
References

PCT Int. Appl. (2005), WO 2005082859 A1 20050909. 
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