tert-butyl 4-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-benzothiazol-2-ylmethoxy)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O4S/c1-19(2,3)26-18(24)22-10-8-21(9-11-22)17(23)13-25-12-16-20-14-6-4-5-7-15(14)27-16/h4-7H,8-13H2,1-3H3