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

Systemtic Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzothiophene-2-carboxylic acid CAS Name: 3-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzothiophene-2-carboxylic acid Formula: C16H14N4O7S2 MolecularWeight: 438.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O7S2/c1-26-10-7-11(27-2)18-15(17-10)19-16(23)20-29(24,25)13-8-5-3-4-6-9(8)28-12(13)14(21)22/h3-7H,1-2H3,(H,21,22)(H2,17,18,19,20,23)