methyl 2-isocyano-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-isocyano-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-isocyano-propanoate CAS Name: 2-isocyano-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-isocyanopropanoate Traditional Name: 3-(benzylthio)-2-isocyano-propionic acid methyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)[N+]#[C-]

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)[N+]#[C-]

InChI

InChI=1S/C12H13NO2S/c1-13-11(12(14)15-2)9-16-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,2H3