2-[3-(1,2-benzothiazol-3-yl)-5-fluoranyl-2,4-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,2-benzothiazol-3-yl)-5-fluoranyl-2,4-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,2-benzothiazol-3-yl)-5-fluoro-2,4-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-(1,2-benzothiazol-3-yl)-5-fluoro-2,4-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(1,2-benzothiazol-3-yl)-5-fluoro-2,4-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-(1,2-benzothiazol-3-yl)-5-fluoro-2,4-dimethyl-indol-1-yl]acetic acid Formula: C19H15FN2O2S MolecularWeight: 354.398003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2CC(=O)O)C)C3=NSC4=CC=CC=C43)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2CC(=O)O)C)C3=NSC4=CC=CC=C43)F

InChI

InChI=1S/C19H15FN2O2S/c1-10-13(20)7-8-14-17(10)18(11(2)22(14)9-16(23)24)19-12-5-3-4-6-15(12)25-21-19/h3-8H,9H2,1-2H3,(H,23,24)