dimethyl 5-[3-(4-ethanoylpiperazin-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-ethanoylpiperazin-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-acetylpiperazin-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-acetyl-1-piperazinyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-acetylpiperazin-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-acetylpiperazino)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C(=O)C)C(=O)OC

InChI

InChI=1S/C18H25N3O6S/c1-11-14(17(24)26-3)16(28-15(11)18(25)27-4)19-13(23)5-6-20-7-9-21(10-8-20)12(2)22/h5-10H2,1-4H3,(H,19,23)