(2-oxidanylidene-3-phenylsulfanyl-propyl) benzoate

Systemtic Name: (2-oxidanylidene-3-phenylsulfanyl-propyl) benzoate Openeye Name: (2-oxo-3-phenylsulfanyl-propyl) benzoate CAS Name: benzoic acid [2-oxo-3-(phenylthio)propyl] ester IUPAC Name: (2-oxo-3-phenylsulfanylpropyl) benzoate Traditional Name: benzoic acid [2-keto-3-(phenylthio)propyl] ester Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H14O3S/c17-14(12-20-15-9-5-2-6-10-15)11-19-16(18)13-7-3-1-4-8-13/h1-10H,11-12H2