[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO4S/c1-26-19-15-17(28-2)11-12-18(19)22(25)27-20(16-9-5-3-6-10-16)21(24)23-13-7-4-8-14-23/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3/t20-/m1/s1