ethyl 3-methyl-5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(4-methyl-2-nitrophenoxy)propanoylamino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]isothiazole-4-carboxylic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S/c1-5-25-17(22)14-10(3)19-27-16(14)18-15(21)11(4)26-13-7-6-9(2)8-12(13)20(23)24/h6-8,11H,5H2,1-4H3,(H,18,21)