2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 3-(benzylthio)-2-(3-mercapto-2-methyl-propanoyl)oxy-propionic acid Formula: C14H18O4S2 MolecularWeight: 314.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)C(=O)OC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O4S2/c1-10(7-19)14(17)18-12(13(15)16)9-20-8-11-5-3-2-4-6-11/h2-6,10,12,19H,7-9H2,1H3,(H,15,16)