[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methylsulfonylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-methylsulfonylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C)/N

InChI

InChI=1S/C14H14N2O5S/c1-9(16)12(7-15)13(17)8-21-14(18)10-3-5-11(6-4-10)22(2,19)20/h3-6H,8,16H2,1-2H3/b12-9+