(6-phenoxypyridin-2-yl)methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl 2-(5-fluoranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (6-phenoxy-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-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl 2-(5-fluoro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-fluoroisobenzothiophen-1-yl)-3-methyl-butyric acid (6-phenoxy-2-pyridyl)methyl ester Formula: C25H22FNO3S MolecularWeight: 435.510483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=NC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=C2C=CC(=CC2=CS1)F)C(=O)OCC3=NC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H22FNO3S/c1-16(2)23(24-21-12-11-18(26)13-17(21)15-31-24)25(28)29-14-19-7-6-10-22(27-19)30-20-8-4-3-5-9-20/h3-13,15-16,23H,14H2,1-2H3