2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetic acid Formula: C9H6ClNO2S2 MolecularWeight: 259.73244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)SCC(=O)O

InChI

InChI=1S/C9H6ClNO2S2/c10-5-1-2-7-6(3-5)11-9(15-7)14-4-8(12)13/h1-3H,4H2,(H,12,13)