2-[[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid

Systemtic Name: 2-[[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid Openeye Name: 2-[[4-(2-ethoxy-1-methyl-2-oxo-ethoxy)-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid CAS Name: 2-[[[[4-(1-ethoxy-1-oxopropan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]terephthalic acid IUPAC Name: 2-[[4-(1-ethoxy-1-oxopropan-2-yl)oxy-6-methyl-1,3,5-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid Traditional Name: 2-[[4-(2-ethoxy-2-keto-1-methyl-ethoxy)-6-methyl-s-triazin-2-yl]carbamoylsulfamoyl]terephthalic acid Formula: C18H19N5O10S MolecularWeight: 497.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C(C)OC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C(=O)O)C

InChI

InChI=1S/C18H19N5O10S/c1-4-32-15(28)8(2)33-18-20-9(3)19-16(22-18)21-17(29)23-34(30,31)12-7-10(13(24)25)5-6-11(12)14(26)27/h5-8H,4H2,1-3H3,(H,24,25)(H,26,27)(H2,19,20,21,22,23,29)