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

Systemtic Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-5-fluoranyl-2-phenyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-2-phenyl-indol-3-yl]acetic acid CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-2-phenyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-2-phenylindol-3-yl]acetic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)-5-fluoro-2-phenyl-indol-3-yl]acetic acid Formula: C24H17FN2O2S MolecularWeight: 416.467383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(N2CC4=NC5=CC=CC=C5S4)C=CC(=C3)F)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(N2CC4=NC5=CC=CC=C5S4)C=CC(=C3)F)CC(=O)O

InChI

InChI=1S/C24H17FN2O2S/c25-16-10-11-20-17(12-16)18(13-23(28)29)24(15-6-2-1-3-7-15)27(20)14-22-26-19-8-4-5-9-21(19)30-22/h1-12H,13-14H2,(H,28,29)