tert-butyl N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(cyanomethylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(benzylsulfanylmethyl)-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[1-(cyanomethylamino)-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-benzylsulfanyl-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(benzylthio)methyl]-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NCC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NCC#N

InChI

InChI=1S/C17H23N3O3S/c1-17(2,3)23-16(22)20-14(15(21)19-10-9-18)12-24-11-13-7-5-4-6-8-13/h4-8,14H,10-12H2,1-3H3,(H,19,21)(H,20,22)