4-(2-chloranyl-6-fluoranyl-phenyl)-2-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)-2-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-chloro-6-fluoro-phenyl)butanoic acid CAS Name: 2-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-chloro-6-fluorophenyl)butanoic acid IUPAC Name: 2-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-chloro-6-fluorophenyl)butanoic acid Traditional Name: 2-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-chloro-6-fluoro-phenyl)butyric acid Formula: C23H20ClFO5S MolecularWeight: 462.918303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=C(C=CC=C3Cl)F)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=CSC=C2)OC(CCC3=C(C=CC=C3Cl)F)C(=O)O

InChI

InChI=1S/C23H20ClFO5S/c1-14(26)17-6-5-16(29-12-15-9-10-31-13-15)11-22(17)30-21(23(27)28)8-7-18-19(24)3-2-4-20(18)25/h2-6,9-11,13,21H,7-8,12H2,1H3,(H,27,28)