[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-3-methyl-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(3-morpholinosulfonylbenzoyl)amino]butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H28N4O7S MolecularWeight: 492.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C(C)N)C#N)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C22H28N4O7S/c1-14(2)20(22(29)33-13-19(27)18(12-23)15(3)24)25-21(28)16-5-4-6-17(11-16)34(30,31)26-7-9-32-10-8-26/h4-6,11,14,20H,7-10,13,24H2,1-3H3,(H,25,28)/b18-15+/t20-/m0/s1