tert-butyl 4-[(6-chloranyl-2-ethanoylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranyl-2-ethanoylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(2-acetylimino-6-chloro-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-acetylimino-6-chloro-1,3-benzothiazol-3-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-acetylimino-6-chloro-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-acetylimino-6-chloro-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Cl)CC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N=C1N(C2=C(S1)C=C(C=C2)Cl)CC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26ClN3O3S/c1-13(25)22-18-24(16-6-5-15(21)11-17(16)28-18)12-14-7-9-23(10-8-14)19(26)27-20(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3