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

Systemtic Name: ethyl 3-methyl-5-[[2-methyl-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-methyl-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]isothiazole-4-carboxylate CAS Name: 3-methyl-5-[[2-methyl-2-(3-methyl-4-nitrophenoxy)-1-oxopropyl]amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-methyl-2-(3-methyl-4-nitrophenoxy)propanoyl]amino]-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-[[2-methyl-2-(3-methyl-4-nitro-phenoxy)propanoyl]amino]isothiazole-4-carboxylic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-6-26-16(22)14-11(3)20-28-15(14)19-17(23)18(4,5)27-12-7-8-13(21(24)25)10(2)9-12/h7-9H,6H2,1-5H3,(H,19,23)