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

Systemtic Name: ethyl 2-[[3-ethoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[3-ethoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-ethoxypropyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl-[(E)-3-phenylacryloyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-3-26-14-8-13-23(20(24)12-11-17-9-6-5-7-10-17)15-19-22-18(16-28-19)21(25)27-4-2/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3/b12-11+