[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C21H23NO4S/c1-14-8-10-17(11-9-14)12-22-20(24)16(3)26-21(25)18-6-4-5-7-19(18)27-13-15(2)23/h4-11,16H,12-13H2,1-3H3,(H,22,24)/t16-/m0/s1