tert-butyl 2-isocyano-2-phenylsulfanyl-ethanoate

Systemtic Name: tert-butyl 2-isocyano-2-phenylsulfanyl-ethanoate Openeye Name: tert-butyl 2-isocyano-2-phenylsulfanyl-acetate CAS Name: 2-isocyano-2-(phenylthio)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-isocyano-2-phenylsulfanylacetate Traditional Name: 2-isocyano-2-(phenylthio)acetic acid tert-butyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C([N+]#[C-])SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C([N+]#[C-])SC1=CC=CC=C1

InChI

InChI=1S/C13H15NO2S/c1-13(2,3)16-12(15)11(14-4)17-10-8-6-5-7-9-10/h5-9,11H,1-3H3