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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(C(=O)OCC(=O)/C(=C(\C)/N)/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/h3-6,10,15,20-21H,8,19H2,1-2H3/b13-9+