ethyl 2-[[pentyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[pentyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[pentyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(E)-1-oxo-3-phenylprop-2-enyl]-pentylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[pentyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[amyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCN(CC1=NC(=CS1)C(=O)OCC)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-3-5-9-14-23(20(24)13-12-17-10-7-6-8-11-17)15-19-22-18(16-27-19)21(25)26-4-2/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3/b13-12+