methyl 2-[3-oxidanylidene-3-(phenylmethylsulfanyl)propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-3-(phenylmethylsulfanyl)propyl]sulfanylethanoate Openeye Name: methyl 2-(3-benzylsulfanyl-3-oxo-propyl)sulfanylacetate CAS Name: 2-[[3-oxo-3-(phenylmethylthio)propyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-benzylsulfanyl-3-oxopropyl)sulfanylacetate Traditional Name: 2-[[3-(benzylthio)-3-keto-propyl]thio]acetic acid methyl ester Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCC(=O)SCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CSCCC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C13H16O3S2/c1-16-12(14)10-17-8-7-13(15)18-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3