ethyl 4-(3,4-dimethoxyphenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H30N3O6S+ MolecularWeight: 476.5658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-5-32-23(29)21-17(16-6-7-18(30-3)19(12-16)31-4)14-33-22(21)24-20(28)13-25-8-10-26(11-9-25)15(2)27/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,28)/p+1