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

Systemtic Name: ethanedioic acid; methyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(furan-2-yl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-(2-furanyl)-3-thiophenecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-4-(2-furyl)thiophene-3-carboxylic acid methyl ester; oxalic acid Formula: C22H27N3O12S MolecularWeight: 557.52768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=CO3)C(=O)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O4S.2C2H2O4/c1-3-20-6-8-21(9-7-20)11-15(22)19-17-16(18(23)24-2)13(12-26-17)14-5-4-10-25-14;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)