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

Systemtic Name: ethyl 4-(2-chloranyl-6-fluoranyl-phenyl)-4-[2-ethanoyl-5-(thiophen-3-ylmethoxy)phenoxy]butanoate Openeye Name: ethyl 4-[2-acetyl-5-(3-thienylmethoxy)phenoxy]-4-(2-chloro-6-fluoro-phenyl)butanoate CAS Name: 4-[2-acetyl-5-(3-thiophenylmethoxy)phenoxy]-4-(2-chloro-6-fluorophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-acetyl-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-chloro-6-fluorophenyl)butanoate Traditional Name: 4-[2-acetyl-5-(3-thenyloxy)phenoxy]-4-(2-chloro-6-fluoro-phenyl)butyric acid ethyl ester Formula: C25H24ClFO5S MolecularWeight: 490.971463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=C(C=CC=C1Cl)F)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)CCC(C1=C(C=CC=C1Cl)F)OC2=C(C=CC(=C2)OCC3=CSC=C3)C(=O)C

InChI

InChI=1S/C25H24ClFO5S/c1-3-30-24(29)10-9-22(25-20(26)5-4-6-21(25)27)32-23-13-18(7-8-19(23)16(2)28)31-14-17-11-12-33-15-17/h4-8,11-13,15,22H,3,9-10,14H2,1-2H3