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

Systemtic Name: methyl 2-(3-chloranyl-4-piperidin-1-yl-phenyl)-2-methylsulfanyl-propanoate Openeye Name: methyl 2-[3-chloro-4-(1-piperidyl)phenyl]-2-methylsulfanyl-propanoate CAS Name: 2-[3-chloro-4-(1-piperidinyl)phenyl]-2-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-4-piperidin-1-ylphenyl)-2-methylsulfanylpropanoate Traditional Name: 2-(3-chloro-4-piperidino-phenyl)-2-(methylthio)propionic acid methyl ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO2S/c1-16(21-3,15(19)20-2)12-7-8-14(13(17)11-12)18-9-5-4-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3