3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]propionic acid Formula: C10H9NO4S2 MolecularWeight: 271.31276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)SCCC(=O)O

InChI

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