(2-fluoranyl-5-phenoxy-phenyl)methyl 2-(5-chloranyl-1-benzothiophen-2-yl)-3-methyl-butanoate

Systemtic Name: (2-fluoranyl-5-phenoxy-phenyl)methyl 2-(5-chloranyl-1-benzothiophen-2-yl)-3-methyl-butanoate Openeye Name: (2-fluoro-5-phenoxy-phenyl)methyl 2-(5-chlorobenzothiophen-2-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-1-benzothiophen-2-yl)-3-methylbutanoic acid (2-fluoro-5-phenoxyphenyl)methyl ester IUPAC Name: (2-fluoro-5-phenoxyphenyl)methyl 2-(5-chloro-1-benzothiophen-2-yl)-3-methylbutanoate Traditional Name: 2-(5-chlorobenzothiophen-2-yl)-3-methyl-butyric acid (2-fluoro-5-phenoxy-benzyl) ester Formula: C26H22ClFO3S MolecularWeight: 468.967483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)C(=O)OCC3=C(C=CC(=C3)OC4=CC=CC=C4)F

Isomeric SMILES

CC(C)C(C1=CC2=C(S1)C=CC(=C2)Cl)C(=O)OCC3=C(C=CC(=C3)OC4=CC=CC=C4)F

InChI

InChI=1S/C26H22ClFO3S/c1-16(2)25(24-14-17-12-19(27)8-11-23(17)32-24)26(29)30-15-18-13-21(9-10-22(18)28)31-20-6-4-3-5-7-20/h3-14,16,25H,15H2,1-2H3