diethyl 5-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-ethylpiperazin-4-ium-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C20H31N3O5S/c1-5-22-10-12-23(13-11-22)9-8-15(24)21-18-16(19(25)27-6-2)14(4)17(29-18)20(26)28-7-3/h5-13H2,1-4H3,(H,21,24)/p+1