ethyl 1-[[2-[(3-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[(3-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(3-chlorophenoxy)methyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[(3-chlorophenoxy)methyl]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(3-chlorophenoxy)methyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)COC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN2O4S/c1-2-25-19(24)13-5-4-8-22(10-13)18(23)16-12-27-17(21-16)11-26-15-7-3-6-14(20)9-15/h3,6-7,9,12-13H,2,4-5,8,10-11H2,1H3