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

Systemtic Name: (4-propanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (4-propanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (4-propionylphenyl) ester Formula: C23H19ClO3S MolecularWeight: 410.91316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClO3S/c1-2-22(25)17-7-11-20(12-8-17)27-23(26)18-5-3-16(4-6-18)15-28-21-13-9-19(24)10-14-21/h3-14H,2,15H2,1H3