[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C19H21NO4S/c1-20(2)18(21)17(13-8-6-5-7-9-13)24-19(22)15-11-10-14(25-4)12-16(15)23-3/h5-12,17H,1-4H3/t17-/m0/s1