ethanedioic acid; ethyl 2-[[2-(4-ethylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[[2-(4-ethylpiperazin-1-yl)-2-phenyl-ethanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxo-2-phenylethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)-2-phenylacetyl]amino]-5-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)-2-phenyl-acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C29H33N3O7S MolecularWeight: 567.65322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=CC=C2)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31N3O3S.C2H2O4/c1-3-29-15-17-30(18-16-29)24(21-13-9-6-10-14-21)25(31)28-26-22(27(32)33-4-2)19-23(34-26)20-11-7-5-8-12-20;3-1(4)2(5)6/h5-14,19,24H,3-4,15-18H2,1-2H3,(H,28,31);(H,3,4)(H,5,6)