methyl 4-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanyl-buta-1,3-dienyl]benzoate

Systemtic Name: methyl 4-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanyl-buta-1,3-dienyl]benzoate Openeye Name: methyl 4-[(1E,3E)-4-methylsulfanyl-2-(p-tolylsulfonyl)buta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-(methylthio)buta-1,3-dienyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1E,3E)-2-(4-methylphenyl)sulfonyl-4-methylsulfanylbuta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-4-(methylthio)-2-tosyl-buta-1,3-dienyl]benzoic acid methyl ester Formula: C20H20O4S2 MolecularWeight: 388.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)C(=O)OC)C=CSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC)/C=C/SC

InChI

InChI=1S/C20H20O4S2/c1-15-4-10-18(11-5-15)26(22,23)19(12-13-25-3)14-16-6-8-17(9-7-16)20(21)24-2/h4-14H,1-3H3/b13-12+,19-14+