3-(1,3-benzothiazol-2-ylsulfamoyl)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfamoyl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfamoyl)propanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylsulfamoyl)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfamoyl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylsulfamoyl)propionic acid Formula: C10H10N2O4S2 MolecularWeight: 286.3274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C10H10N2O4S2/c13-9(14)5-6-18(15,16)12-10-11-7-3-1-2-4-8(7)17-10/h1-4H,5-6H2,(H,11,12)(H,13,14)