methyl 2-[[4-methoxy-6-(methoxysulfanylcarbonylsulfanylmethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-methoxy-6-(methoxysulfanylcarbonylsulfanylmethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-methoxy-6-(methoxysulfanylcarbonylsulfanylmethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-methoxy-6-[[[(methoxythio)-oxomethyl]thio]methyl]-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-methoxy-6-(methoxysulfanylcarbonylsulfanylmethyl)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-methoxy-6-[[(methoxythio)carbonylthio]methyl]-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H17N5O8S3 MolecularWeight: 503.52988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)CSC(=O)SOC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)CSC(=O)SOC

InChI

InChI=1S/C16H17N5O8S3/c1-27-12(22)9-6-4-5-7-10(9)32(25,26)21-14(23)19-13-17-11(18-15(20-13)28-2)8-30-16(24)31-29-3/h4-7H,8H2,1-3H3,(H2,17,18,19,20,21,23)