[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(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)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-14(2)17-5-3-4-6-18(17)22-19(23)13-25-20(24)11-12-26-16-9-7-15(21)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,22,23)