2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(1,2-benzothiazol-3-yl)-2-methyl-5-(trifluoromethyl)indol-1-yl]acetic acid Formula: C19H13F3N2O2S MolecularWeight: 390.37893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C(F)(F)F)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H13F3N2O2S/c1-10-17(18-12-4-2-3-5-15(12)27-23-18)13-8-11(19(20,21)22)6-7-14(13)24(10)9-16(25)26/h2-8H,9H2,1H3,(H,25,26)