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

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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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)N3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H23NO5S/c1-25-18-14-16(28-2)8-9-17(18)21(24)27-19(15-6-4-3-5-7-15)20(23)22-10-12-26-13-11-22/h3-9,14,19H,10-13H2,1-2H3/t19-/m1/s1