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

Systemtic Name: ethyl 4-methyl-5-phenyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-methyl-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-3-33-27(32)24-20(2)25(22-12-8-5-9-13-22)34-26(24)28-23(31)19-30-16-14-29(15-17-30)18-21-10-6-4-7-11-21/h4-13H,3,14-19H2,1-2H3,(H,28,31)