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

Systemtic Name: (4-fluoranyl-3-phenoxy-phenyl)methyl 2-(5-chloranyl-2-benzothiophen-1-yl)-3-methyl-butanoate Openeye Name: (4-fluoro-3-phenoxy-phenyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methyl-butanoate CAS Name: 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoic acid (4-fluoro-3-phenoxyphenyl)methyl ester IUPAC Name: (4-fluoro-3-phenoxyphenyl)methyl 2-(5-chloro-2-benzothiophen-1-yl)-3-methylbutanoate Traditional Name: 2-(5-chloroisobenzothiophen-1-yl)-3-methyl-butyric acid (4-fluoro-3-phenoxy-benzyl) ester Formula: C26H22ClFO3S MolecularWeight: 468.967483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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