ethyl 4-phenyl-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[[2-[4-(2-pyridylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-[4-(2-pyridylmethyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C25H28N4O3S/c1-2-32-25(31)23-21(19-8-4-3-5-9-19)18-33-24(23)27-22(30)17-29-14-12-28(13-15-29)16-20-10-6-7-11-26-20/h3-11,18H,2,12-17H2,1H3,(H,27,30)