3-(1,3-dithiolan-2-yl)-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-propanoic acid

Systemtic Name: 3-(1,3-dithiolan-2-yl)-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-propanoic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)oxy-3-(1,3-dithiolan-2-yl)propanoic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropoxy]-3-(1,3-dithiolan-2-yl)propanoic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)oxy-3-(1,3-dithiolan-2-yl)propanoic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]oxy-3-(1,3-dithiolan-2-yl)propionic acid Formula: C12H18O5S3 MolecularWeight: 338.46332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(CC1SCCS1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC(CC1SCCS1)C(=O)O

InChI

InChI=1S/C12H18O5S3/c1-7(6-20-8(2)13)12(16)17-9(11(14)15)5-10-18-3-4-19-10/h7,9-10H,3-6H2,1-2H3,(H,14,15)