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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O5S/c1-4-17-14(2)31-20(19(17)21(27)30-3)22-18(26)13-23-9-11-24(12-10-23)15-5-7-16(8-6-15)25(28)29/h5-8H,4,9-13H2,1-3H3,(H,22,26)