2-[6-(phenylmethyl)-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[6-(phenylmethyl)-5-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-yl]ethanoic acid Openeye Name: 2-[6-benzyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridyl]acetic acid CAS Name: 2-[6-(phenylmethyl)-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridinyl]acetic acid IUPAC Name: 2-[6-benzyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl]acetic acid Traditional Name: 2-[6-benzyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3-pyridyl]acetic acid Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C=N2)CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=N2)CC(=O)O)CC3=NC4=C(C(=CC(=C4S3)F)F)F

InChI

InChI=1S/C22H15F3N2O2S/c23-15-10-16(24)22-21(20(15)25)27-18(30-22)9-14-6-13(8-19(28)29)11-26-17(14)7-12-4-2-1-3-5-12/h1-6,10-11H,7-9H2,(H,28,29)