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

Systemtic Name: tert-butyl 4-[(2-azanylidene-6-fluoranyl-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-fluoro-2-imino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-fluoro-2-imino-1,3-benzothiazol-3-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-fluoro-2-imino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(6-fluoro-2-imino-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H24FN3O2S MolecularWeight: 365.465463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24FN3O2S/c1-18(2,3)24-17(23)21-8-6-12(7-9-21)11-22-14-5-4-13(19)10-15(14)25-16(22)20/h4-5,10,12,20H,6-9,11H2,1-3H3