methyl 2-isocyano-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-isocyano-4-methylsulfanyl-butanoate Openeye Name: methyl 2-isocyano-4-methylsulfanyl-butanoate CAS Name: 2-isocyano-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-isocyano-4-methylsulfanylbutanoate Traditional Name: 2-isocyano-4-(methylthio)butyric acid methyl ester Formula: C7H11NO2S MolecularWeight: 173.23274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO2S/c1-8-6(4-5-11-3)7(9)10-2/h6H,4-5H2,2-3H3