ethyl 4,5-dimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[4-(2-nitrophenyl)piperazino]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-5-31-22(28)19-14(2)16(4)32-21(19)23-20(27)15(3)24-10-12-25(13-11-24)17-8-6-7-9-18(17)26(29)30/h6-9,15H,5,10-13H2,1-4H3,(H,23,27)