methyl 2-cyano-4-cyclopropyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 2-cyano-4-cyclopropyl-3-methylsulfonyl-benzoate Openeye Name: methyl 2-cyano-4-cyclopropyl-3-methylsulfonyl-benzoate CAS Name: 2-cyano-4-cyclopropyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-cyclopropyl-3-methylsulfonylbenzoate Traditional Name: 2-cyano-4-cyclopropyl-3-mesyl-benzoic acid methyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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