tert-butyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzoxazol-2-ylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)24-17(22)21-10-8-20(9-11-21)12-13-25-16-19-14-6-4-5-7-15(14)23-16/h4-7H,8-13H2,1-3H3