tert-butyl N-[2-(4-methoxy-5-oxidanyl-2-thiocyanato-phenyl)ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(4-methoxy-5-oxidanyl-2-thiocyanato-phenyl)ethyl]carbamate Openeye Name: tert-butyl N-[2-(5-hydroxy-4-methoxy-2-thiocyanato-phenyl)ethyl]carbamate CAS Name: N-[2-(5-hydroxy-4-methoxy-2-thiocyanatophenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(5-hydroxy-4-methoxy-2-thiocyanatophenyl)ethyl]carbamate Traditional Name: N-[2-(5-hydroxy-4-methoxy-2-thiocyanato-phenyl)ethyl]carbamic acid tert-butyl ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-15(2,3)21-14(19)17-6-5-10-7-11(18)12(20-4)8-13(10)22-9-16/h7-8,18H,5-6H2,1-4H3,(H,17,19)