ethyl 5-phenyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3S/c1-2-34-28(33)27-24(20-25(35-27)23-13-7-4-8-14-23)29-26(32)21-31-18-16-30(17-19-31)15-9-12-22-10-5-3-6-11-22/h3-14,20H,2,15-19,21H2,1H3,(H,29,32)/b12-9+