2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetic acid CAS Name: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetic acid Traditional Name: 2-(2-keto-6-pyrrolidinosulfonyl-1,3-benzothiazol-3-yl)acetic acid Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

InChI

InChI=1S/C13H14N2O5S2/c16-12(17)8-15-10-4-3-9(7-11(10)21-13(15)18)22(19,20)14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,16,17)