[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S/c1-14(19(22)21-13-16-9-11-17(24-3)12-10-16)25-20(23)15(2)26-18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t14-,15-/m0/s1