methyl 2-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-methylsulfanyl-ethanoate

Systemtic Name: methyl 2-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-methylsulfanyl-ethanoate Openeye Name: methyl 2-[3-chloro-4-(1-piperidyl)phenyl]-2-methylsulfanyl-acetate CAS Name: 2-[3-chloro-4-(1-piperidinyl)phenyl]-2-(methylthio)acetic acid methyl ester IUPAC Name: methyl 2-(3-chloro-4-piperidin-1-ylphenyl)-2-methylsulfanylacetate Traditional Name: 2-(3-chloro-4-piperidino-phenyl)-2-(methylthio)acetic acid methyl ester Formula: C15H20ClNO2S MolecularWeight: 313.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC(=C(C=C1)N2CCCCC2)Cl)SC

Isomeric SMILES

COC(=O)C(C1=CC(=C(C=C1)N2CCCCC2)Cl)SC

InChI

InChI=1S/C15H20ClNO2S/c1-19-15(18)14(20-2)11-6-7-13(12(16)10-11)17-8-4-3-5-9-17/h6-7,10,14H,3-5,8-9H2,1-2H3