(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCCCC2

InChI

InChI=1S/C16H21NO4S/c1-20-14-10-12(22-2)6-7-13(14)16(19)21-11-15(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3