tert-butyl N-[6-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)hexyl]carbamate

Systemtic Name: tert-butyl N-[6-(5-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)hexyl]carbamate Openeye Name: tert-butyl N-[6-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)hexyl]carbamate CAS Name: N-[6-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(5-nitro-3-oxo-1,2-benzothiazol-2-yl)hexyl]carbamate Traditional Name: N-[6-(3-keto-5-nitro-1,2-benzothiazol-2-yl)hexyl]carbamic acid tert-butyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-18(2,3)26-17(23)19-10-6-4-5-7-11-20-16(22)14-12-13(21(24)25)8-9-15(14)27-20/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,23)