ethanedioic acid; ethyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H31N3O7S MolecularWeight: 505.58384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O3S.C2H2O4/c1-4-24-10-12-25(13-11-24)14-19(26)23-21-20(22(27)28-5-2)18(15-29-21)17-8-6-16(3)7-9-17;3-1(4)2(5)6/h6-9,15H,4-5,10-14H2,1-3H3,(H,23,26);(H,3,4)(H,5,6)