2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethylphenoxy]acetic acid Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)-2,3-dimethyl-phenoxy]acetic acid Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OCC(=O)O)C2=NSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1C)OCC(=O)O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C17H15NO3S/c1-10-11(2)14(21-9-16(19)20)8-7-12(10)17-13-5-3-4-6-15(13)22-18-17/h3-8H,9H2,1-2H3,(H,19,20)