dimethyl 3-methyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H24N4O7S/c1-13-17(20(27)31-2)19(33-18(13)21(28)32-3)22-16(26)12-23-8-10-24(11-9-23)14-4-6-15(7-5-14)25(29)30/h4-7H,8-12H2,1-3H3,(H,22,26)