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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C(C)N)C#N)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C19H23N3O7S/c1-11(2)18(19(24)29-10-15(23)14(9-20)12(3)21)22-30(25,26)13-4-5-16-17(8-13)28-7-6-27-16/h4-5,8,11,18,22H,6-7,10,21H2,1-3H3/b14-12+/t18-/m0/s1