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

Systemtic Name: 3-cyano-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)oxy-propanoic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)oxy-3-cyano-propanoic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropoxy]-3-cyanopropanoic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)oxy-3-cyanopropanoic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]oxy-3-cyano-propionic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC(CC#N)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC(CC#N)C(=O)O

InChI

InChI=1S/C10H13NO5S/c1-6(5-17-7(2)12)10(15)16-8(3-4-11)9(13)14/h6,8H,3,5H2,1-2H3,(H,13,14)