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

Systemtic Name: tert-butyl 4-[(6-chloranyl-2-methanoylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloro-2-formylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-chloro-2-formylimino-1,3-benzothiazol-3-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloro-2-formylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(6-chloro-2-formylimino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)Cl)SC2=NC=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)Cl)SC2=NC=O

InChI

InChI=1S/C19H24ClN3O3S/c1-19(2,3)26-18(25)22-8-6-13(7-9-22)11-23-15-5-4-14(20)10-16(15)27-17(23)21-12-24/h4-5,10,12-13H,6-9,11H2,1-3H3