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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C

InChI

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