[(E)-C-[3-(2-cyano-2-sulfanyl-propanoyl)oxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 2-cyano-2-sulfanyl-propanoate

Systemtic Name: [(E)-C-[3-(2-cyano-2-sulfanyl-propanoyl)oxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 2-cyano-2-sulfanyl-propanoate Openeye Name: [(E)-C-[3-(2-cyano-2-sulfanyl-propanoyl)oxy-3-oxo-propyl]-N-hydroxy-carbonimidoyl] 2-cyano-2-sulfanyl-propanoate CAS Name: 2-cyano-2-mercaptopropanoic acid [(1E)-4-(2-cyano-2-mercapto-1-oxopropoxy)-1-hydroxyimino-4-oxobutyl] ester IUPAC Name: [(E)-C-[3-(2-cyano-2-sulfanylpropanoyl)oxy-3-oxopropyl]-N-hydroxycarbonimidoyl] 2-cyano-2-sulfanylpropanoate Traditional Name: 2-cyano-2-mercapto-propionic acid [4-(2-cyano-2-mercapto-propanoyl)oxy-4-keto-butanehydroximoyl] ester Formula: C12H13N3O6S2 MolecularWeight: 359.37812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C(=O)OC(=NO)CCC(=O)OC(=O)C(C)(C#N)S)S

Isomeric SMILES

CC(C#N)(C(=O)O/C(=N/O)/CCC(=O)OC(=O)C(C)(C#N)S)S

InChI

InChI=1S/C12H13N3O6S2/c1-11(22,5-13)9(17)20-7(15-19)3-4-8(16)21-10(18)12(2,23)6-14/h19,22-23H,3-4H2,1-2H3/b15-7+