ethyl 4-[4-[3,4-bis(chloranyl)phenoxy]phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[3,4-bis(chloranyl)phenoxy]phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate Openeye Name: ethyl 2-acetylsulfanyl-4-[4-(3,4-dichlorophenoxy)phenyl]-4-oxo-butanoate CAS Name: 2-(acetylthio)-4-[4-(3,4-dichlorophenoxy)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetylsulfanyl-4-[4-(3,4-dichlorophenoxy)phenyl]-4-oxobutanoate Traditional Name: 2-(acetylthio)-4-[4-(3,4-dichlorophenoxy)phenyl]-4-keto-butyric acid ethyl ester Formula: C20H18Cl2O5S MolecularWeight: 441.32492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)SC(=O)C

InChI

InChI=1S/C20H18Cl2O5S/c1-3-26-20(25)19(28-12(2)23)11-18(24)13-4-6-14(7-5-13)27-15-8-9-16(21)17(22)10-15/h4-10,19H,3,11H2,1-2H3