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

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 4-(2-chloro-6-fluoro-phenyl)-4-[2-cyano-5-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 4-(2-chloro-6-fluorophenyl)-4-[2-cyano-5-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 4-(2-chloro-6-fluorophenyl)-4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-4-[2-cyano-5-(3-thenyloxy)phenoxy]butyric acid Formula: C22H17ClFNO4S MolecularWeight: 445.891083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(CCC(=O)O)OC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)F

InChI

InChI=1S/C22H17ClFNO4S/c23-17-2-1-3-18(24)22(17)19(6-7-21(26)27)29-20-10-16(5-4-15(20)11-25)28-12-14-8-9-30-13-14/h1-5,8-10,13,19H,6-7,12H2,(H,26,27)