methyl 2-[[4-(4-chlorophenyl)piperidin-3-yl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-chlorophenyl)piperidin-3-yl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-chlorophenyl)-3-piperidyl]methylsulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-3-piperidinyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-chlorophenyl)piperidin-3-yl]methylsulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-3-piperidyl]methylthio]acetic acid methyl ester Formula: C15H20ClNO2S MolecularWeight: 313.8428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1CNCCC1C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CSCC1CNCCC1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClNO2S/c1-19-15(18)10-20-9-12-8-17-7-6-14(12)11-2-4-13(16)5-3-11/h2-5,12,14,17H,6-10H2,1H3