3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]benzothiophene-2-carboxylic acid Formula: C15H13N5O7S2 MolecularWeight: 439.42302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(SC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C15H13N5O7S2/c1-26-14-17-12(18-15(19-14)27-2)16-13(23)20-29(24,25)10-7-5-3-4-6-8(7)28-9(10)11(21)22/h3-6H,1-2H3,(H,21,22)(H2,16,17,18,19,20,23)