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

Systemtic Name: methyl 2-cyano-4-ethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-ethyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-ethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-ethyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-ethyl-5-mesyl-benzoic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C=C(C(=C1)C#N)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C12H13NO4S/c1-4-8-5-9(7-13)10(12(14)17-2)6-11(8)18(3,15)16/h5-6H,4H2,1-3H3