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

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C20H30N3O7S+ MolecularWeight: 456.5331

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C20H29N3O7S/c1-5-29-19(26)16-13(2)17(20(27)30-11-10-28-4)31-18(16)21-15(25)12-22-6-8-23(9-7-22)14(3)24/h5-12H2,1-4H3,(H,21,25)/p+1