ethyl 5-chloranyl-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-4-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-4-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-chloro-4-phenyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H24ClN5O3S MolecularWeight: 485.98636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H24ClN5O3S/c1-2-32-22(31)19-18(16-7-4-3-5-8-16)20(24)33-21(19)27-17(30)15-28-11-13-29(14-12-28)23-25-9-6-10-26-23/h3-10H,2,11-15H2,1H3,(H,27,30)