methyl 4-[[4-[(E)-2-cyano-2-methylsulfonyl-ethenyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-2-methylsulfonyl-ethenyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-2-methylsulfonyl-vinyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-2-methylsulfonylethenyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-2-methylsulfonylethenyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-2-mesyl-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H19NO6S/c1-25-19-11-15(10-17(12-21)28(3,23)24)6-9-18(19)27-13-14-4-7-16(8-5-14)20(22)26-2/h4-11H,13H2,1-3H3/b17-10+