ethyl 3-[(3-chlorophenyl)methyl]-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(4-methylthiazole-5-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-[(4-methyl-5-thiazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(3-chlorobenzyl)-1-(4-methylthiazole-5-carbonyl)nipecotic acid ethyl ester Formula: C20H23ClN2O3S MolecularWeight: 406.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CS2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CS2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S/c1-3-26-19(25)20(11-15-6-4-7-16(21)10-15)8-5-9-23(12-20)18(24)17-14(2)22-13-27-17/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3