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

Systemtic Name: O4-ethyl O2-methyl 5-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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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=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-4-31-21(28)18-14(2)19(22(29)30-3)32-20(18)23-17(27)13-24-9-11-25(12-10-24)15-5-7-16(26)8-6-15/h5-8,26H,4,9-13H2,1-3H3,(H,23,27)/p+1