(4-ethanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (4-ethanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (4-acetylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-acetylphenyl) ester Formula: C22H17ClO3S MolecularWeight: 396.88658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClO3S/c1-15(24)17-6-10-20(11-7-17)26-22(25)18-4-2-16(3-5-18)14-27-21-12-8-19(23)9-13-21/h2-13H,14H2,1H3