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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-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]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H31N3O3S/c1-3-20-17-21(24(29)30-4-2)23(31-20)25-22(28)18-27-15-13-26(14-16-27)12-8-11-19-9-6-5-7-10-19/h5-11,17H,3-4,12-16,18H2,1-2H3,(H,25,28)/b11-8+