[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C20H23NO3S/c1-12-10-13(2)18(14(3)11-12)21-19(22)15(4)24-20(23)16-6-8-17(25-5)9-7-16/h6-11,15H,1-5H3,(H,21,22)/t15-/m0/s1