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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-methylpiperazino)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H27N3O11S2 MolecularWeight: 573.59328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3S2.2C2H2O4/c1-3-24-18(23)16-13(14-5-4-10-25-14)12-26-17(16)19-15(22)11-21-8-6-20(2)7-9-21;2*3-1(4)2(5)6/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,22);2*(H,3,4)(H,5,6)