diethyl 3-methyl-5-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate; ethanedioic acid

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate; ethanedioic acid Openeye Name: diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate; oxalic acid CAS Name: 3-methyl-5-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate; oxalic acid Traditional Name: 3-methyl-5-[[2-(4-methylpiperazino)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid Formula: C22H31N3O13S MolecularWeight: 577.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O5S.2C2H2O4/c1-5-25-17(23)14-12(3)15(18(24)26-6-2)27-16(14)19-13(22)11-21-9-7-20(4)8-10-21;2*3-1(4)2(5)6/h5-11H2,1-4H3,(H,19,22);2*(H,3,4)(H,5,6)