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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H28N4O4S/c1-16-19(23(30)31-2)22(32-20(16)21(24)29)25-18(28)15-27-13-11-26(12-14-27)10-6-9-17-7-4-3-5-8-17/h3-9H,10-15H2,1-2H3,(H2,24,29)(H,25,28)/b9-6+