methyl 1-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2-chloro-5-methylsulfanyl-benzoyl)oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-chloro-5-methylsulfanylbenzoyl)oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-chloro-5-(methylthio)benzoyl]oxyacetyl]isonipecotic acid methyl ester Formula: C17H20ClNO5S MolecularWeight: 385.8624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C17H20ClNO5S/c1-23-16(21)11-5-7-19(8-6-11)15(20)10-24-17(22)13-9-12(25-2)3-4-14(13)18/h3-4,9,11H,5-8,10H2,1-2H3