[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-chlorophenyl)thio]propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-chlorophenyl)thio]propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H22ClNO3S MolecularWeight: 391.91158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3S/c1-13(2)17-6-4-5-7-18(17)22-19(23)12-25-20(24)14(3)26-16-10-8-15(21)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,22,23)/t14-/m0/s1