dimethyl 2-[1-(phenylcarbonylsulfanyl)ethyl]pentanedioate

Systemtic Name: dimethyl 2-[1-(phenylcarbonylsulfanyl)ethyl]pentanedioate Openeye Name: dimethyl 2-(1-benzoylsulfanylethyl)pentanedioate CAS Name: 2-[1-(benzoylthio)ethyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-benzoylsulfanylethyl)pentanedioate Traditional Name: 2-[1-(benzoylthio)ethyl]glutaric acid dimethyl ester Formula: C16H20O5S MolecularWeight: 324.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5S/c1-11(22-16(19)12-7-5-4-6-8-12)13(15(18)21-3)9-10-14(17)20-2/h4-8,11,13H,9-10H2,1-3H3