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

Systemtic Name: methyl 2-cyano-4-cyclopropyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-cyclopropyl-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-cyclopropyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-cyclopropyl-5-methylsulfonylbenzoate Traditional Name: 2-cyano-4-cyclopropyl-5-mesyl-benzoic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#N)C2CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#N)C2CC2)S(=O)(=O)C

InChI

InChI=1S/C13H13NO4S/c1-18-13(15)11-6-12(19(2,16)17)10(8-3-4-8)5-9(11)7-14/h5-6,8H,3-4H2,1-2H3