tert-butyl N-[(1R)-2-isothiocyanato-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[(1R)-2-isothiocyanato-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[(1R)-2-isothiocyanato-1-phenyl-ethyl]carbamate CAS Name: N-[(1R)-2-isothiocyanato-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R)-2-isothiocyanato-1-phenylethyl]carbamate Traditional Name: N-[(1R)-2-isothiocyanato-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN=C=S)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CN=C=S)C1=CC=CC=C1

InChI

InChI=1S/C14H18N2O2S/c1-14(2,3)18-13(17)16-12(9-15-10-19)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3,(H,16,17)/t12-/m0/s1