2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butanoic acid

Systemtic Name: 2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butanoic acid Openeye Name: 2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butanoic acid CAS Name: 2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butanoic acid IUPAC Name: 2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butanoic acid Traditional Name: 2-ethyl-4-(2-methyl-2H-1,3-benzothiazol-3-yl)butyric acid Formula: C14H19NO2S MolecularWeight: 265.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1C(SC2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CCC(CCN1C(SC2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C14H19NO2S/c1-3-11(14(16)17)8-9-15-10(2)18-13-7-5-4-6-12(13)15/h4-7,10-11H,3,8-9H2,1-2H3,(H,16,17)