ethyl 4-cyano-5-ethylsulfonyl-2-methyl-benzoate

Systemtic Name: ethyl 4-cyano-5-ethylsulfonyl-2-methyl-benzoate Openeye Name: ethyl 4-cyano-5-ethylsulfonyl-2-methyl-benzoate CAS Name: 4-cyano-5-ethylsulfonyl-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-ethylsulfonyl-2-methylbenzoate Traditional Name: 4-cyano-5-esyl-2-methyl-benzoic acid ethyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-4-18-13(15)11-7-12(19(16,17)5-2)10(8-14)6-9(11)3/h6-7H,4-5H2,1-3H3