[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H23N3O6S/c1-12-9-22(10-13(2)28-12)29(25,26)16-6-4-5-15(7-16)19(24)27-11-18(23)17(8-20)14(3)21/h4-7,12-13H,9-11,21H2,1-3H3/b17-14+/t12-,13-/m0/s1