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

Systemtic Name: O4-ethyl O2-prop-2-enyl 5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 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-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 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 O2-allyl ester O4-ethyl ester Formula: C20H28N3O6S+ MolecularWeight: 438.51782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-5-11-29-20(27)17-13(3)16(19(26)28-6-2)18(30-17)21-15(25)12-22-7-9-23(10-8-22)14(4)24/h5H,1,6-12H2,2-4H3,(H,21,25)/p+1