ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4,5-dimethyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 4,5-dimethyl-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4,5-dimethyl-2-[[2-(4-methylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C18H27N3O7S MolecularWeight: 429.48788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S.C2H2O4/c1-5-22-16(21)14-11(2)12(3)23-15(14)17-13(20)10-19-8-6-18(4)7-9-19;3-1(4)2(5)6/h5-10H2,1-4H3,(H,17,20);(H,3,4)(H,5,6)