[5-imidazo[2,1-b][1,3,4]thiadiazol-6-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate

Systemtic Name: [5-imidazo[2,1-b][1,3,4]thiadiazol-6-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate Openeye Name: [5-imidazo[2,1-b][1,3,4]thiadiazol-6-yl-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(6-imidazo[2,1-b][1,3,4]thiadiazolyl)-2-(2-methyl-1-oxopropoxy)-3-nitrophenyl] ester IUPAC Name: [5-imidazo[2,1-b][1,3,4]thiadiazol-6-yl-2-(2-methylpropanoyloxy)-3-nitrophenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid (5-imidazo[2,1-b][1,3,4]thiadiazol-6-yl-2-isobutyryloxy-3-nitro-phenyl) ester Formula: C18H18N4O6S MolecularWeight: 418.42372

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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=CN3C(=N2)SC=N3

Isomeric SMILES

CC(C)C(=O)OC1=CC(=CC(=C1OC(=O)C(C)C)[N+](=O)[O-])C2=CN3C(=N2)SC=N3

InChI

InChI=1S/C18H18N4O6S/c1-9(2)16(23)27-14-6-11(12-7-21-18(20-12)29-8-19-21)5-13(22(25)26)15(14)28-17(24)10(3)4/h5-10H,1-4H3