2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[2-(4-isopropylphenyl)-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[2-(4-propan-2-ylphenyl)-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-(2-p-cumenyl-1,3-benzothiazol-6-yl)acetic acid Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C18H17NO2S/c1-11(2)13-4-6-14(7-5-13)18-19-15-8-3-12(10-17(20)21)9-16(15)22-18/h3-9,11H,10H2,1-2H3,(H,20,21)