ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitro-phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitro-benzoyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[2-(4-ethyl-1-piperazinyl)-5-nitrophenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-ethylpiperazin-1-yl)-5-nitrobenzoyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-ethylpiperazino)-5-nitro-benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)CC)C(=O)OCC

InChI

InChI=1S/C22H28N4O5S/c1-4-16-14-18(22(28)31-6-3)21(32-16)23-20(27)17-13-15(26(29)30)7-8-19(17)25-11-9-24(5-2)10-12-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,23,27)