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

Systemtic Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)O[C@@H](C)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C20H23NO3S/c1-4-25-18-8-6-5-7-17(18)20(23)24-15(3)19(22)21-13-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,21,22)/t15-/m0/s1