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

Systemtic Name: ethyl 4-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazino]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CN2CCN(CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O3S/c1-3-29-21(28)20-17(2)23-22(30-20)24-19(27)16-26-14-12-25(13-15-26)11-7-10-18-8-5-4-6-9-18/h4-10H,3,11-16H2,1-2H3,(H,23,24,27)/b10-7+