tert-butyl 4-[4-(2-isoquinolin-7-yloxyethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-isoquinolin-7-yloxyethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[2-(7-isoquinolyloxy)ethoxy]-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(7-isoquinolinyloxy)ethoxy]-1,2,5-thiadiazol-3-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-isoquinolin-7-yloxyethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(7-isoquinolyloxy)ethoxy]-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NSN=C2OCCOC3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NSN=C2OCCOC3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C22H27N5O4S/c1-22(2,3)31-21(28)27-10-8-26(9-11-27)19-20(25-32-24-19)30-13-12-29-18-5-4-16-6-7-23-15-17(16)14-18/h4-7,14-15H,8-13H2,1-3H3