ethyl 4-[4-(2-chloranylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(2-chloranylphenoxy)phenyl]-2-ethanoylsulfanyl-4-oxidanylidene-butanoate Openeye Name: ethyl 2-acetylsulfanyl-4-[4-(2-chlorophenoxy)phenyl]-4-oxo-butanoate CAS Name: 2-(acetylthio)-4-[4-(2-chlorophenoxy)phenyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-acetylsulfanyl-4-[4-(2-chlorophenoxy)phenyl]-4-oxobutanoate Traditional Name: 2-(acetylthio)-4-[4-(2-chlorophenoxy)phenyl]-4-keto-butyric acid ethyl ester Formula: C20H19ClO5S MolecularWeight: 406.87986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2Cl)SC(=O)C

Isomeric SMILES

CCOC(=O)C(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2Cl)SC(=O)C

InChI

InChI=1S/C20H19ClO5S/c1-3-25-20(24)19(27-13(2)22)12-17(23)14-8-10-15(11-9-14)26-18-7-5-4-6-16(18)21/h4-11,19H,3,12H2,1-2H3