ethyl 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)propanoyl]amino]-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)propanoyl]amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)propanoyl]amino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)-1-oxopropyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)propanoyl]amino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[[2-methyl-2-(4-nitrophenoxy)propanoyl]amino]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)(C)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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