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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

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