[4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-phenyl] propanoate Openeye Name: [4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-2-ethoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-2-besyl-2-cyano-vinyl]-2-ethoxy-phenyl] ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C20H19NO5S/c1-3-20(22)26-18-11-10-15(13-19(18)25-4-2)12-17(14-21)27(23,24)16-8-6-5-7-9-16/h5-13H,3-4H2,1-2H3/b17-12+