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

Systemtic Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid IUPAC Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)thio]acetic acid Formula: C11H12NO2S2+ MolecularWeight: 254.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)SCC(=O)O

InChI

InChI=1S/C11H11NO2S2/c1-2-12-8-5-3-4-6-9(8)16-11(12)15-7-10(13)14/h3-6H,2,7H2,1H3/p+1