ethyl 2-isocyano-4-methylsulfanyl-butanoate

Systemtic Name: ethyl 2-isocyano-4-methylsulfanyl-butanoate Openeye Name: ethyl 2-isocyano-4-methylsulfanyl-butanoate CAS Name: 2-isocyano-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-isocyano-4-methylsulfanylbutanoate Traditional Name: 2-isocyano-4-(methylthio)butyric acid ethyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO2S/c1-4-11-8(10)7(9-2)5-6-12-3/h7H,4-6H2,1,3H3