[5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate

Systemtic Name: [5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate Openeye Name: [5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(2-imidazo[2,1-b][1,3]benzothiazolyl)-2-(2-methyl-1-oxopropoxy)-3-nitrophenyl] ester IUPAC Name: [5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-(2-methylpropanoyloxy)-3-nitrophenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (5-imidazo[2,1-b][1,3]benzothiazol-2-yl-2-isobutyryloxy-3-nitro-phenyl) ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C2=CN3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C2=CN3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C23H21N3O6S/c1-12(2)21(27)31-18-10-14(9-17(26(29)30)20(18)32-22(28)13(3)4)15-11-25-16-7-5-6-8-19(16)33-23(25)24-15/h5-13H,1-4H3