Catalog Number:
AG009CMO
Chemical Name:
2(1H)-Isoquinolinecarboxylic acid, 8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1235034-71-5
Molecular Formula:
C22H23N3O3S
Molecular Weight:
409.5013
MDL Number:
MFCD30491841
IUPAC Name:
tert-butyl 8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI:
InChI=1S/C22H23N3O3S/c1-22(2,3)28-21(27)25-12-11-14-7-6-8-15(16(14)13-25)19(26)24-20-23-17-9-4-5-10-18(17)29-20/h4-10H,11-13H2,1-3H3,(H,23,24,26)
InChI Key:
BVRGDNBAFNGSDQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2)OC(C)(C)C
