tert-butyl N-[(2R)-1-isothiocyanato-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-isothiocyanato-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(benzylsulfanylmethyl)-2-isothiocyanato-ethyl]carbamate CAS Name: N-[(2R)-1-isothiocyanato-3-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-benzylsulfanyl-3-isothiocyanatopropan-2-yl]carbamate Traditional Name: N-[(1R)-1-[(benzylthio)methyl]-2-isothiocyanato-ethyl]carbamic acid tert-butyl ester Formula: C16H22N2O2S2 MolecularWeight: 338.48808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CN=C=S)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CN=C=S)CSCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O2S2/c1-16(2,3)20-15(19)18-14(9-17-12-21)11-22-10-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,18,19)/t14-/m1/s1