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

Systemtic Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]ethanoic acid chloride Openeye Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]acetic acid chloride CAS Name: 2-[2-(carboxymethylthio)-1,3-benzothiazol-3-ium-3-yl]acetic acid chloride IUPAC Name: 2-[2-(carboxymethylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]acetic acid chloride Traditional Name: 2-[2-(carboxymethylthio)-1,3-benzothiazol-3-ium-3-yl]acetic acid chloride Formula: C11H10ClNO4S2 MolecularWeight: 319.7844

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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4S2.ClH/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);1H