O4-ethyl O2-methyl 3-methyl-5-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 3-methyl-5-[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 3-methyl-5-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H27N4O7S+ MolecularWeight: 491.53738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c1-4-33-21(28)18-14(2)19(22(29)32-3)34-20(18)23-17(27)13-24-9-11-25(12-10-24)15-7-5-6-8-16(15)26(30)31/h5-8H,4,9-13H2,1-3H3,(H,23,27)/p+1