ethyl 4-[4-(4-chloranyl-2-fluoranyl-phenoxy)phenyl]sulfanyl-2-cyano-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 4-[4-(4-chloranyl-2-fluoranyl-phenoxy)phenyl]sulfanyl-2-cyano-3-oxidanylidene-pentanoate Openeye Name: ethyl 4-[4-(4-chloro-2-fluoro-phenoxy)phenyl]sulfanyl-2-cyano-3-oxo-pentanoate CAS Name: 4-[[4-(4-chloro-2-fluorophenoxy)phenyl]thio]-2-cyano-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chloro-2-fluorophenoxy)phenyl]sulfanyl-2-cyano-3-oxopentanoate Traditional Name: 4-[[4-(4-chloro-2-fluoro-phenoxy)phenyl]thio]-2-cyano-3-keto-valeric acid ethyl ester Formula: C20H17ClFNO4S MolecularWeight: 421.869683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C(C)SC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)C(C)SC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C20H17ClFNO4S/c1-3-26-20(25)16(11-23)19(24)12(2)28-15-7-5-14(6-8-15)27-18-9-4-13(21)10-17(18)22/h4-10,12,16H,3H2,1-2H3