methyl 2-[(E)-1-cyano-2-ethoxy-ethenyl]sulfonylbenzoate

Systemtic Name: methyl 2-[(E)-1-cyano-2-ethoxy-ethenyl]sulfonylbenzoate Openeye Name: methyl 2-[(E)-1-cyano-2-ethoxy-vinyl]sulfonylbenzoate CAS Name: 2-[(E)-1-cyano-2-ethoxyethenyl]sulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-1-cyano-2-ethoxyethenyl]sulfonylbenzoate Traditional Name: 2-[(E)-1-cyano-2-ethoxy-vinyl]sulfonylbenzoic acid methyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=C(C#N)S(=O)(=O)C1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCO/C=C(\C#N)/S(=O)(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H13NO5S/c1-3-19-9-10(8-14)20(16,17)12-7-5-4-6-11(12)13(15)18-2/h4-7,9H,3H2,1-2H3/b10-9+