[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C=CC(=C1)SC)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3S/c1-13(14-6-4-3-5-7-14)11-21-18(22)12-24-19(23)16-10-15(25-2)8-9-17(16)20/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1