tert-butyl 2-isothiocyanato-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-isothiocyanato-3-phenyl-propanoate Openeye Name: tert-butyl 2-isothiocyanato-3-phenyl-propanoate CAS Name: 2-isothiocyanato-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-isothiocyanato-3-phenylpropanoate Traditional Name: 2-isothiocyanato-3-phenyl-propionic acid tert-butyl ester Formula: C14H17NO2S MolecularWeight: 263.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N=C=S

InChI

InChI=1S/C14H17NO2S/c1-14(2,3)17-13(16)12(15-10-18)9-11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3