(4-tert-butylphenyl)methyl N-[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate

Systemtic Name: (4-tert-butylphenyl)methyl N-[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate Openeye Name: (4-tert-butylphenyl)methyl N-[[4-(2-azidoethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate CAS Name: N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methylthio]carbamic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N-[[4-(2-azidoethoxy)-3-methoxyphenyl]methylsulfanyl]carbamate Traditional Name: N-[[4-(2-azidoethoxy)-3-methoxy-benzyl]thio]carbamic acid (4-tert-butylbenzyl) ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)NSCC2=CC(=C(C=C2)OCCN=[N+]=[N-])OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)NSCC2=CC(=C(C=C2)OCCN=[N+]=[N-])OC

InChI

InChI=1S/C22H28N4O4S/c1-22(2,3)18-8-5-16(6-9-18)14-30-21(27)25-31-15-17-7-10-19(20(13-17)28-4)29-12-11-24-26-23/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27)