tert-butyl 3-isothiocyanatopropanoate

Systemtic Name: tert-butyl 3-isothiocyanatopropanoate Openeye Name: tert-butyl 3-isothiocyanatopropanoate CAS Name: 3-isothiocyanatopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-isothiocyanatopropanoate Traditional Name: 3-isothiocyanatopropionic acid tert-butyl ester Formula: C8H13NO2S MolecularWeight: 187.25932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN=C=S

Isomeric SMILES

CC(C)(C)OC(=O)CCN=C=S

InChI

InChI=1S/C8H13NO2S/c1-8(2,3)11-7(10)4-5-9-6-12/h4-5H2,1-3H3