[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2)/N

InChI

InChI=1S/C20H25N3O7S/c1-14(22)16(12-21)17(24)13-30-20(25)5-3-2-4-8-23-31(26,27)15-6-7-18-19(11-15)29-10-9-28-18/h6-7,11,23H,2-5,8-10,13,22H2,1H3/b16-14+