dimethyl 3-methyl-5-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[4-[(E)-cinnamyl]piperazin-1-yl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-[4-[(E)-cinnamyl]piperazino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H31N3O5S/c1-18-21(24(30)32-2)23(34-22(18)25(31)33-3)26-20(29)11-13-28-16-14-27(15-17-28)12-7-10-19-8-5-4-6-9-19/h4-10H,11-17H2,1-3H3,(H,26,29)/b10-7+