ethyl 2-[[(3-bromophenyl)carbonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[(3-bromophenyl)carbonyl-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-bromophenyl)-oxomethyl]-(3-ethoxypropyl)amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-bromobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C19H23BrN2O4S MolecularWeight: 455.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O4S/c1-3-25-10-6-9-22(18(23)14-7-5-8-15(20)11-14)12-17-21-16(13-27-17)19(24)26-4-2/h5,7-8,11,13H,3-4,6,9-10,12H2,1-2H3