1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid

Systemtic Name: 1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid Openeye Name: 1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid CAS Name: 1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid IUPAC Name: 1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid Traditional Name: 1-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-isoquinoline-4-carboxylic acid Formula: C19H13F3N2O2S MolecularWeight: 390.37893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=CN1C3=NC4=C(S3)C=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2C(=CN1C3=NC4=C(S3)C=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H13F3N2O2S/c1-10-12-4-2-3-5-13(12)14(17(25)26)9-24(10)18-23-15-8-11(19(20,21)22)6-7-16(15)27-18/h2-10H,1H3,(H,25,26)