methyl 8-(phenylcarbamoylsulfanyl)octanoate

Systemtic Name: methyl 8-(phenylcarbamoylsulfanyl)octanoate Openeye Name: methyl 8-(phenylcarbamoylsulfanyl)octanoate CAS Name: 8-[[anilino(oxo)methyl]thio]octanoic acid methyl ester IUPAC Name: methyl 8-(phenylcarbamoylsulfanyl)octanoate Traditional Name: 8-(phenylcarbamoylthio)caprylic acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCSC(=O)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCCCSC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3S/c1-20-15(18)12-8-3-2-4-9-13-21-16(19)17-14-10-6-5-7-11-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,17,19)