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

Systemtic Name: 3-(2,5-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 3-(2,5-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(2,5-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(2,5-dimethyl-2H-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(2,5-dimethyl-2H-1,3-benzothiazol-3-yl)propionic acid Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)C)CCC(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)C)CCC(=O)O

InChI

InChI=1S/C12H15NO2S/c1-8-3-4-11-10(7-8)13(9(2)16-11)6-5-12(14)15/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)