2-(cyanomethyl)-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-(cyanomethyl)-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-cyano-propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-cyanopropanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-cyanopropanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-cyano-propionic acid Formula: C7H9NO3S MolecularWeight: 187.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC#N)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC#N)C(=O)O

InChI

InChI=1S/C7H9NO3S/c1-5(9)12-4-6(2-3-8)7(10)11/h6H,2,4H2,1H3,(H,10,11)