methyl 4-(4-fluorophenyl)-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C27H28FN3O3S MolecularWeight: 493.592923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H28FN3O3S/c1-34-27(33)25-23(21-9-11-22(28)12-10-21)19-35-26(25)29-24(32)18-31-16-14-30(15-17-31)13-5-8-20-6-3-2-4-7-20/h2-12,19H,13-18H2,1H3,(H,29,32)/b8-5+