methyl 2-(5-phenylpentanoylsulfanyl)benzoate

Systemtic Name: methyl 2-(5-phenylpentanoylsulfanyl)benzoate Openeye Name: methyl 2-(5-phenylpentanoylsulfanyl)benzoate CAS Name: 2-[(1-oxo-5-phenylpentyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(5-phenylpentanoylsulfanyl)benzoate Traditional Name: 2-(5-phenylpentanoylthio)benzoic acid methyl ester Formula: C19H20O3S MolecularWeight: 328.4253

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(=O)CCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(=O)CCCCC2=CC=CC=C2

InChI

InChI=1S/C19H20O3S/c1-22-19(21)16-12-6-7-13-17(16)23-18(20)14-8-5-11-15-9-3-2-4-10-15/h2-4,6-7,9-10,12-13H,5,8,11,14H2,1H3