2-[2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazol-6-yl]ethanoate

Systemtic Name: 2-[2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazol-6-yl]ethanoate Openeye Name: 2-[2-(isopropylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetate CAS Name: 2-[2-[(propan-2-ylthio)methyl]-1,3-benzothiazol-6-yl]acetate IUPAC Name: 2-[2-(propan-2-ylsulfanylmethyl)-1,3-benzothiazol-6-yl]acetate Traditional Name: 2-[2-[(isopropylthio)methyl]-1,3-benzothiazol-6-yl]acetate Formula: C13H14NO2S2- MolecularWeight: 280.38576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

Isomeric SMILES

CC(C)SCC1=NC2=C(S1)C=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C13H15NO2S2/c1-8(2)17-7-12-14-10-4-3-9(6-13(15)16)5-11(10)18-12/h3-5,8H,6-7H2,1-2H3,(H,15,16)/p-1