ethanedioic acid; ethyl 5-bromanyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-bromanyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 5-bromo-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-bromo-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 5-bromo-2-[[2-(4-methylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H28BrN3O11S MolecularWeight: 646.46162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)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=CC=C2)Br)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24BrN3O3S.2C2H2O4/c1-3-27-20(26)17-16(14-7-5-4-6-8-14)18(21)28-19(17)22-15(25)13-24-11-9-23(2)10-12-24;2*3-1(4)2(5)6/h4-8H,3,9-13H2,1-2H3,(H,22,25);2*(H,3,4)(H,5,6)