[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1C(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-14(2)17-11-7-8-12-18(17)21-19(22)13-24-20(23)15(3)25-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,22)/t15-/m0/s1