ethanedioic acid; ethyl 2-[2-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methylpiperazin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[2-(4-methylpiperazin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[2-(4-methylpiperazino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O3S.C2H2O4/c1-4-27-21(26)18-17(16-8-6-5-7-9-16)14-28-20(18)22-19(25)15(2)24-12-10-23(3)11-13-24;3-1(4)2(5)6/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,25);(H,3,4)(H,5,6)