methyl 2-(4-phenylbutanoylsulfanyl)benzoate

Systemtic Name: methyl 2-(4-phenylbutanoylsulfanyl)benzoate Openeye Name: methyl 2-(4-phenylbutanoylsulfanyl)benzoate CAS Name: 2-[(1-oxo-4-phenylbutyl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-(4-phenylbutanoylsulfanyl)benzoate Traditional Name: 2-(4-phenylbutanoylthio)benzoic acid methyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-21-18(20)15-11-5-6-12-16(15)22-17(19)13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3