2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-3-phenoxy-propanoic acid

Systemtic Name: 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-3-phenoxy-propanoic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)oxy-3-phenoxy-propanoic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropoxy]-3-phenoxypropanoic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)oxy-3-phenoxypropanoic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]oxy-3-phenoxy-propionic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(COC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC(COC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H18O6S/c1-10(9-22-11(2)16)15(19)21-13(14(17)18)8-20-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3,(H,17,18)