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

Systemtic Name: (3-ethanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (3-acetylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-acetylphenyl) ester IUPAC Name: (3-acetylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (3-acetylphenyl) ester Formula: C22H17ClO3S MolecularWeight: 396.88658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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