ethyl 2-[2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[cyclopentyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]acetyl]amino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H35N4O5S+ MolecularWeight: 479.6128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C23H34N4O5S/c1-5-32-23(31)18-15(2)19(22(30)25(3)4)33-20(18)24-17(28)14-26-10-12-27(13-11-26)21(29)16-8-6-7-9-16/h16H,5-14H2,1-4H3,(H,24,28)/p+1