(2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-ethanoylsulfanyl-butanoate

Systemtic Name: (2E)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-ethanoylsulfanyl-butanoate Openeye Name: (2E)-4-acetylsulfanyl-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylene]butanoate CAS Name: (2E)-4-(acetylthio)-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanoate IUPAC Name: (2E)-4-acetylsulfanyl-2-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]butanoate Traditional Name: (E)-2-[2-(acetylthio)ethyl]-3-(4-chlorophenyl)-3-(4-mesylphenyl)acrylate Formula: C20H18ClO5S2- MolecularWeight: 437.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC(=O)SCC/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC=C(C=C2)Cl)/C(=O)[O-]

InChI

InChI=1S/C20H19ClO5S2/c1-13(22)27-12-11-18(20(23)24)19(14-3-7-16(21)8-4-14)15-5-9-17(10-6-15)28(2,25)26/h3-10H,11-12H2,1-2H3,(H,23,24)/p-1/b19-18-