ethyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanyl-butyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanyl-butyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-hydroxy-butyl]piperazine-1-carboxylate CAS Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-hydroxybutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-hydroxybutyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylmethoxy)-2-hydroxy-butyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(C(C)OCC2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(C(C)OCC2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C19H27N3O4S/c1-3-25-19(24)22-10-8-21(9-11-22)12-16(23)14(2)26-13-18-20-15-6-4-5-7-17(15)27-18/h4-7,14,16,23H,3,8-13H2,1-2H3