3-fluoranyl-2-[3-[(E)-2-pyridin-2-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]sulfanyl-benzoic acid

Systemtic Name: 3-fluoranyl-2-[3-[(E)-2-pyridin-2-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]sulfanyl-benzoic acid Openeye Name: 3-fluoro-2-[3-[(E)-2-(2-pyridyl)vinyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]sulfanyl-benzoic acid CAS Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridinyl)ethenyl]-1-(2-trimethylsilylethoxymethyl)-6-indazolyl]thio]benzoic acid IUPAC Name: 3-fluoro-2-[3-[(E)-2-pyridin-2-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]sulfanylbenzoic acid Traditional Name: 3-fluoro-2-[[3-[(E)-2-(2-pyridyl)vinyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]thio]benzoic acid Formula: C27H28FN3O3SSi MolecularWeight: 521.678423

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCOCN1C2=C(C=CC(=C2)SC3=C(C=CC=C3F)C(=O)O)C(=N1)C=CC4=CC=CC=N4

Isomeric SMILES

C[Si](C)(C)CCOCN1C2=C(C=CC(=C2)SC3=C(C=CC=C3F)C(=O)O)C(=N1)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C27H28FN3O3SSi/c1-36(2,3)16-15-34-18-31-25-17-20(35-26-22(27(32)33)8-6-9-23(26)28)11-12-21(25)24(30-31)13-10-19-7-4-5-14-29-19/h4-14,17H,15-16,18H2,1-3H3,(H,32,33)/b13-10+