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

Systemtic Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate; ethanedioic acid Openeye Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate; oxalic acid CAS Name: 3-methyl-5-[[3-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid IUPAC Name: diethyl 3-methyl-5-[3-(4-methylpiperazin-1-yl)propanoylamino]thiophene-2,4-dicarboxylate; oxalic acid Traditional Name: 3-methyl-5-[3-(4-methylpiperazino)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid Formula: C23H33N3O13S MolecularWeight: 591.58542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2CCN(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)CCN2CCN(CC2)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O5S.2C2H2O4/c1-5-26-18(24)15-13(3)16(19(25)27-6-2)28-17(15)20-14(23)7-8-22-11-9-21(4)10-12-22;2*3-1(4)2(5)6/h5-12H2,1-4H3,(H,20,23);2*(H,3,4)(H,5,6)