methyl 5-ethyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H24N4O5S/c1-3-16-12-17(20(26)29-2)19(30-16)21-18(25)13-22-8-10-23(11-9-22)14-4-6-15(7-5-14)24(27)28/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,25)