tert-butyl 4-[(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-2-oxo-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(5-chloro-2-oxo-1,3-benzothiazol-3-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2-oxo-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(5-chloro-2-keto-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN2O3S MolecularWeight: 382.90482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O3S/c1-18(2,3)24-16(22)20-8-6-12(7-9-20)11-21-14-10-13(19)4-5-15(14)25-17(21)23/h4-5,10,12H,6-9,11H2,1-3H3