methyl 1-[2-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-methoxy-4-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-methoxy-4-methylsulfanyl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-methoxy-4-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methoxy-4-methylsulfanylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-methoxy-4-(methylthio)benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C18H23NO6S MolecularWeight: 381.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H23NO6S/c1-23-15-10-13(26-3)4-5-14(15)18(22)25-11-16(20)19-8-6-12(7-9-19)17(21)24-2/h4-5,10,12H,6-9,11H2,1-3H3