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

Systemtic Name: 3-[1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(1,1-diketo-3H-1,2-benzothiazol-2-yl)propionic acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2S(=O)(=O)N1CCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2S(=O)(=O)N1CCC(=O)O

InChI

InChI=1S/C10H11NO4S/c12-10(13)5-6-11-7-8-3-1-2-4-9(8)16(11,14)15/h1-4H,5-7H2,(H,12,13)