tert-butyl N-[(2S)-1-isothiocyanato-4-methylsulfanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-isothiocyanato-4-methylsulfanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(isothiocyanatomethyl)-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-isothiocyanato-4-(methylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-isothiocyanato-4-methylsulfanylbutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(isothiocyanatomethyl)-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C11H20N2O2S2 MolecularWeight: 276.4187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O2S2/c1-11(2,3)15-10(14)13-9(5-6-17-4)7-12-8-16/h9H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1