N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(3-methylphenoxy)acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)COC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)COC4=CC=CC(=C4)C

InChI

InChI=1S/C22H22N4O3S/c1-4-28-17-9-6-10-18-21(17)24-22(30-18)26-19(12-15(3)25-26)23-20(27)13-29-16-8-5-7-14(2)11-16/h5-12H,4,13H2,1-3H3,(H,23,27)