N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-1,1-dioxo-thiolan-3-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxo-3-thiolanamine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(1,1-diketothiolan-3-yl)amine Formula: C13H18BrNO4S MolecularWeight: 364.25532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCS(=O)(=O)C2)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCS(=O)(=O)C2)Br)OC

InChI

InChI=1S/C13H18BrNO4S/c1-18-12-6-9(5-11(14)13(12)19-2)7-15-10-3-4-20(16,17)8-10/h5-6,10,15H,3-4,7-8H2,1-2H3