2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]ethanoic acid Openeye Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]acetic acid CAS Name: 2-[2-(carboxymethylthio)-1,3-benzothiazol-3-ium-3-yl]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]acetic acid Traditional Name: 2-[2-(carboxymethylthio)-1,3-benzothiazol-3-ium-3-yl]acetic acid Formula: C11H10NO4S2+ MolecularWeight: 284.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=C(S2)SCC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=C(S2)SCC(=O)O)CC(=O)O

InChI

InChI=1S/C11H9NO4S2/c13-9(14)5-12-7-3-1-2-4-8(7)18-11(12)17-6-10(15)16/h1-4H,5-6H2,(H-,13,14,15,16)/p+1