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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=C(C(=NS1)C)C(=O)OCC)OC2=CC=CC=C2[N+](=O)[O-]

InChI

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