tert-butyl N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamate CAS Name: N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamate Traditional Name: N-[(1S,2R)-2-isothiocyanatocyclohexyl]carbamic acid tert-butyl ester Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCC1N=C=S

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N=C=S

InChI

InChI=1S/C12H20N2O2S/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)13-8-17/h9-10H,4-7H2,1-3H3,(H,14,15)/t9-,10+/m1/s1