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

Systemtic Name: tert-butyl 4-[(6-nitro-2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(6-nitro-2-oxo-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate CAS Name: 4-[(6-nitro-2-oxo-1,3-benzothiazol-3-yl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-nitro-2-oxo-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-keto-6-nitro-1,3-benzothiazol-3-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O

InChI

InChI=1S/C18H23N3O5S/c1-18(2,3)26-16(22)19-8-6-12(7-9-19)11-20-14-5-4-13(21(24)25)10-15(14)27-17(20)23/h4-5,10,12H,6-9,11H2,1-3H3