3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid

Systemtic Name: 3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid Openeye Name: 3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid CAS Name: 3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(5-methyl-1,3-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(5-methyl-1,3-benzothiazol-2-yl)propionic acid Formula: C11H11NO2S MolecularWeight: 221.27554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)CCC(=O)O

InChI

InChI=1S/C11H11NO2S/c1-7-2-3-9-8(6-7)12-10(15-9)4-5-11(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)