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

Systemtic Name: 3-cyano-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid Openeye Name: 3-cyano-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 3-cyano-2-(3-mercapto-2-methyl-1-oxopropoxy)propanoic acid IUPAC Name: 3-cyano-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 3-cyano-2-(3-mercapto-2-methyl-propanoyl)oxy-propionic acid Formula: C8H11NO4S MolecularWeight: 217.24224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO4S/c1-5(4-14)8(12)13-6(2-3-9)7(10)11/h5-6,14H,2,4H2,1H3,(H,10,11)