4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(1,3-benzothiazol-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid Formula: C12H9N3O4S2 MolecularWeight: 323.34756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CNC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)C3=CNC(=C3)C(=O)O

InChI

InChI=1S/C12H9N3O4S2/c16-11(17)9-5-7(6-13-9)21(18,19)15-12-14-8-3-1-2-4-10(8)20-12/h1-6,13H,(H,14,15)(H,16,17)