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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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