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

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[2-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-[4-(2-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-(2-nitrophenyl)piperazino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H30N4O5S/c1-4-36-27(33)25-24(20-11-9-18(2)10-12-20)19(3)37-26(25)28-23(32)17-29-13-15-30(16-14-29)21-7-5-6-8-22(21)31(34)35/h5-12H,4,13-17H2,1-3H3,(H,28,32)