methyl 2-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamothioylsulfamoyl]phenyl]ethanoate

Systemtic Name: methyl 2-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamothioylsulfamoyl]phenyl]ethanoate Openeye Name: methyl 2-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamothioylsulfamoyl]phenyl]acetate CAS Name: 2-[2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-sulfanylidenemethyl]sulfamoyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamothioylsulfamoyl]phenyl]acetate Traditional Name: 2-[2-[(4,6-dimethoxy-s-triazin-2-yl)thiocarbamoylsulfamoyl]phenyl]acetic acid methyl ester Formula: C15H17N5O6S2 MolecularWeight: 427.45538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=S)NS(=O)(=O)C2=CC=CC=C2CC(=O)OC)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=S)NS(=O)(=O)C2=CC=CC=C2CC(=O)OC)OC

InChI

InChI=1S/C15H17N5O6S2/c1-24-11(21)8-9-6-4-5-7-10(9)28(22,23)20-15(27)18-12-16-13(25-2)19-14(17-12)26-3/h4-7H,8H2,1-3H3,(H2,16,17,18,19,20,27)