[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butanoate CAS Name: (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate Traditional Name: (2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-butyric acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H18ClN3O6S MolecularWeight: 415.84862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC(=O)C(C#N)C(=C)N)NS(=O)(=O)C1=CC=C(C=C1)Cl)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCC(=O)[C@H](C#N)C(=C)N)NS(=O)(=O)C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C16H18ClN3O6S/c1-9(19)13(7-18)14(22)8-26-16(23)15(10(2)21)20-27(24,25)12-5-3-11(17)4-6-12/h3-6,10,13,15,20-21H,1,8,19H2,2H3/t10-,13-,15+/m1/s1