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

Systemtic Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)propanoylamino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitro-phenoxy)propanoylamino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[2-(3-methyl-4-nitrophenoxy)-1-oxopropyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(3-methyl-4-nitrophenoxy)propanoylamino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[2-(3-methyl-4-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=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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