methyl 3-isocyano-3-(4-methylsulfanylphenyl)propanoate

Systemtic Name: methyl 3-isocyano-3-(4-methylsulfanylphenyl)propanoate Openeye Name: methyl 3-isocyano-3-(4-methylsulfanylphenyl)propanoate CAS Name: 3-isocyano-3-[4-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-isocyano-3-(4-methylsulfanylphenyl)propanoate Traditional Name: 3-isocyano-3-[4-(methylthio)phenyl]propionic acid methyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)SC)[N+]#[C-]

Isomeric SMILES

COC(=O)CC(C1=CC=C(C=C1)SC)[N+]#[C-]

InChI

InChI=1S/C12H13NO2S/c1-13-11(8-12(14)15-2)9-4-6-10(16-3)7-5-9/h4-7,11H,8H2,2-3H3