(2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3O4S/c1-12(24)21-19-22-16(11-28-19)10-27-18(26)14-6-8-23(9-7-14)17(25)13-2-4-15(20)5-3-13/h2-5,11,14H,6-10H2,1H3,(H,21,22,24)