[5-(trifluoromethyl)-1,3-benzothiazol-2-yl] 2-(1-methylisoquinolin-4-yl)ethanoate

Systemtic Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl] 2-(1-methylisoquinolin-4-yl)ethanoate Openeye Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl] 2-(1-methyl-4-isoquinolyl)acetate CAS Name: 2-(1-methyl-4-isoquinolinyl)acetic acid [5-(trifluoromethyl)-1,3-benzothiazol-2-yl] ester IUPAC Name: [5-(trifluoromethyl)-1,3-benzothiazol-2-yl] 2-(1-methylisoquinolin-4-yl)acetate Traditional Name: 2-(1-methyl-4-isoquinolyl)acetic acid [5-(trifluoromethyl)-1,3-benzothiazol-2-yl] ester Formula: C20H13F3N2O2S MolecularWeight: 402.38963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C2=CC=CC=C12)CC(=O)OC3=NC4=C(S3)C=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=NC=C(C2=CC=CC=C12)CC(=O)OC3=NC4=C(S3)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H13F3N2O2S/c1-11-14-4-2-3-5-15(14)12(10-24-11)8-18(26)27-19-25-16-9-13(20(21,22)23)6-7-17(16)28-19/h2-7,9-10H,8H2,1H3