[1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-chlorophenyl)thio]propanoic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClNO4S/c1-13(20(25)15-7-9-16(10-8-15)22-14(2)23)26-19(24)11-12-27-18-6-4-3-5-17(18)21/h3-10,13H,11-12H2,1-2H3,(H,22,23)