2-(1,3-benzothiazol-2-ylmethylsulfonyl)ethanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfonyl)ethanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfonyl)acetic acid CAS Name: 2-(1,3-benzothiazol-2-ylmethylsulfonyl)acetic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfonyl)acetic acid Traditional Name: 2-(1,3-benzothiazol-2-ylmethylsulfonyl)acetic acid Formula: C10H9NO4S2 MolecularWeight: 271.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CS(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C10H9NO4S2/c12-10(13)6-17(14,15)5-9-11-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2,(H,12,13)