4-[[[1,1-bis(oxidanylidene)thian-4-yl]amino]methyl]-2-bromanyl-6-methoxy-phenol

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)thian-4-yl]amino]methyl]-2-bromanyl-6-methoxy-phenol Openeye Name: 2-bromo-4-[[(1,1-dioxothian-4-yl)amino]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[(1,1-dioxo-4-thianyl)amino]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[(1,1-dioxothian-4-yl)amino]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[(1,1-diketothian-4-yl)amino]methyl]-6-methoxy-phenol 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)CC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCS(=O)(=O)CC2)Br)O

InChI

InChI=1S/C13H18BrNO4S/c1-19-12-7-9(6-11(14)13(12)16)8-15-10-2-4-20(17,18)5-3-10/h6-7,10,15-16H,2-5,8H2,1H3