tert-butyl 4-[(2-chloranyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-chloranyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-chlorothiazol-5-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-chloro-5-thiazolyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-chlorothiazol-5-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C13H20ClN3O2S MolecularWeight: 317.8348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(S2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(S2)Cl

InChI

InChI=1S/C13H20ClN3O2S/c1-13(2,3)19-12(18)17-6-4-16(5-7-17)9-10-8-15-11(14)20-10/h8H,4-7,9H2,1-3H3