tert-butyl 4-[3-[2-(2,1,3-benzothiadiazol-4-yloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2-(2,1,3-benzothiadiazol-4-yloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2-(2,1,3-benzothiadiazol-4-yloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[2-(2,1,3-benzothiadiazol-4-yloxy)ethoxy]-2-pyrazinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-(2,1,3-benzothiadiazol-4-yloxy)ethoxy]pyrazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-piazthiol-4-yloxyethoxy)pyrazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2OCCOC3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=CN=C2OCCOC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H26N6O4S/c1-21(2,3)31-20(28)27-11-9-26(10-12-27)18-19(23-8-7-22-18)30-14-13-29-16-6-4-5-15-17(16)25-32-24-15/h4-8H,9-14H2,1-3H3