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

Systemtic Name: methyl 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]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 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]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O3S/c1-17-15-19(22(27)28-2)21(29-17)23-20(26)16-25-13-11-24(12-14-25)10-6-9-18-7-4-3-5-8-18/h3-9,15H,10-14,16H2,1-2H3,(H,23,26)/b9-6+