[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC=CC=C1SC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC=CC=C1SC)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14(15-8-4-3-5-9-15)12-20-18(21)13-23-19(22)16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,20,21)/t14-/m1/s1