methyl 2-isocyano-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-isocyano-3-methylsulfanyl-propanoate Openeye Name: methyl 2-isocyano-3-methylsulfanyl-propanoate CAS Name: 2-isocyano-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-isocyano-3-methylsulfanylpropanoate Traditional Name: 2-isocyano-3-(methylthio)propionic acid methyl ester Formula: C6H9NO2S MolecularWeight: 159.20616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC)[N+]#[C-]

Isomeric SMILES

COC(=O)C(CSC)[N+]#[C-]

InChI

InChI=1S/C6H9NO2S/c1-7-5(4-10-3)6(8)9-2/h5H,4H2,2-3H3