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

Systemtic Name: [4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-phenyl] cyclopropanecarboxylate Openeye Name: [4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]-2-ethoxy-phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(E)-2-besyl-2-cyano-vinyl]-2-ethoxy-phenyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3CC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)OC(=O)C3CC3

InChI

InChI=1S/C21H19NO5S/c1-2-26-20-13-15(8-11-19(20)27-21(23)16-9-10-16)12-18(14-22)28(24,25)17-6-4-3-5-7-17/h3-8,11-13,16H,2,9-10H2,1H3/b18-12+