[6-(phenylcarbonyl)pyridin-2-yl]methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: [6-(phenylcarbonyl)pyridin-2-yl]methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-benzoyl-2-pyridyl)methyl 2-(5-fluoro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-fluoro-2-benzothiophen-1-yl)-3-methylbutanoic acid (6-benzoyl-2-pyridinyl)methyl ester IUPAC Name: (6-benzoylpyridin-2-yl)methyl 2-(5-fluoro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-fluoroisobenzothiophen-1-yl)-3-methyl-butyric acid (6-benzoyl-2-pyridyl)methyl ester Formula: C26H22FNO3S MolecularWeight: 447.521183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=CC=CC(=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=CC=CC(=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22FNO3S/c1-16(2)23(25-21-12-11-19(27)13-18(21)15-32-25)26(30)31-14-20-9-6-10-22(28-20)24(29)17-7-4-3-5-8-17/h3-13,15-16,23H,14H2,1-2H3