(4-ethanoyl-2-methylsulfanyl-phenyl) benzoate

Systemtic Name: (4-ethanoyl-2-methylsulfanyl-phenyl) benzoate Openeye Name: (4-acetyl-2-methylsulfanyl-phenyl) benzoate CAS Name: benzoic acid [4-acetyl-2-(methylthio)phenyl] ester IUPAC Name: (4-acetyl-2-methylsulfanylphenyl) benzoate Traditional Name: benzoic acid [4-acetyl-2-(methylthio)phenyl] ester Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C16H14O3S/c1-11(17)13-8-9-14(15(10-13)20-2)19-16(18)12-6-4-3-5-7-12/h3-10H,1-2H3