[5-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate

Systemtic Name: [5-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate Openeye Name: [5-[2-(2-methylpropanoylamino)thiazol-4-yl]-2-(2-methylpropanoyloxy)-3-nitro-phenyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-(2-methyl-1-oxopropoxy)-5-[2-[(2-methyl-1-oxopropyl)amino]-4-thiazolyl]-3-nitrophenyl] ester IUPAC Name: [5-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]-2-(2-methylpropanoyloxy)-3-nitrophenyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-[2-(isobutyrylamino)thiazol-4-yl]-2-isobutyryloxy-3-nitro-phenyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=CS1)C2=CC(=C(C(=C2)OC(=O)C(C)C)OC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NC(=CS1)C2=CC(=C(C(=C2)OC(=O)C(C)C)OC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-10(2)18(25)23-21-22-14(9-32-21)13-7-15(24(28)29)17(31-20(27)12(5)6)16(8-13)30-19(26)11(3)4/h7-12H,1-6H3,(H,22,23,25)