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

Systemtic Name: dimethyl 5-[3-(4-ethoxycarbonylpiperazin-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(4-ethoxycarbonylpiperazin-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(4-ethoxycarbonyl-1-piperazinyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-ethoxycarbonylpiperazin-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-carbethoxypiperazino)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C19H27N3O7S/c1-5-29-19(26)22-10-8-21(9-11-22)7-6-13(23)20-16-14(17(24)27-3)12(2)15(30-16)18(25)28-4/h5-11H2,1-4H3,(H,20,23)