methyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(2-chloranyl-2-phenyl-ethanoyl)-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(2-chloro-2-phenyl-acetyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[(2-chloro-1-oxo-2-phenylethyl)-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-2-phenylacetyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(2-chloro-2-phenyl-acetyl)-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H19ClN2O3S MolecularWeight: 366.86236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C(C2=CC=CC=C2)Cl

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C(C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H19ClN2O3S/c1-3-9-20(10-14-19-13(11-24-14)17(22)23-2)16(21)15(18)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3