tert-butyl N-[2-(4,5-dimethoxy-2-thiocyanato-phenyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(4,5-dimethoxy-2-thiocyanato-phenyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(4,5-dimethoxy-2-thiocyanato-phenyl)ethyl]carbamate CAS Name: N-[2-(4,5-dimethoxy-2-thiocyanatophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(4,5-dimethoxy-2-thiocyanatophenyl)ethyl]carbamate Traditional Name: N-[2-(4,5-dimethoxy-2-thiocyanato-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1SC#N)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1SC#N)OC)OC

InChI

InChI=1S/C16H22N2O4S/c1-16(2,3)22-15(19)18-7-6-11-8-12(20-4)13(21-5)9-14(11)23-10-17/h8-9H,6-7H2,1-5H3,(H,18,19)