methyl 2-piperidin-1-ylsulfanylbenzoate

Systemtic Name: methyl 2-piperidin-1-ylsulfanylbenzoate Openeye Name: methyl 2-(1-piperidylsulfanyl)benzoate CAS Name: 2-(1-piperidinylthio)benzoic acid methyl ester IUPAC Name: methyl 2-piperidin-1-ylsulfanylbenzoate Traditional Name: 2-(piperidinothio)benzoic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SN2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SN2CCCCC2

InChI

InChI=1S/C13H17NO2S/c1-16-13(15)11-7-3-4-8-12(11)17-14-9-5-2-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3