2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]ethanoic acid

Systemtic Name: 2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]ethanoic acid Openeye Name: 2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]acetic acid CAS Name: 2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]acetic acid IUPAC Name: 2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]acetic acid Traditional Name: 2-[2-(2-methyl-1,3-benzothiazol-5-yl)ethoxy]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)CCOCC(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)CCOCC(=O)O

InChI

InChI=1S/C12H13NO3S/c1-8-13-10-6-9(2-3-11(10)17-8)4-5-16-7-12(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)