ethyl 5-methyl-4-phenyl-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[2-[4-(2-pyridylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-[4-(2-pyridylmethyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-3-33-26(32)24-23(20-9-5-4-6-10-20)19(2)34-25(24)28-22(31)18-30-15-13-29(14-16-30)17-21-11-7-8-12-27-21/h4-12H,3,13-18H2,1-2H3,(H,28,31)