ethyl 5-ethyl-2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC2=C(C=C(C=C2)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H20N2O6S/c1-4-12-9-13(18(22)25-5-2)17(27-12)19-16(21)10-26-15-7-6-11(3)8-14(15)20(23)24/h6-9H,4-5,10H2,1-3H3,(H,19,21)