[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(phenylsulfonyl)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(phenylsulfonyl)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCS(=O)(=O)C1=CC=CC=C1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCS(=O)(=O)C1=CC=CC=C1)/N

InChI

InChI=1S/C15H16N2O5S/c1-11(17)13(9-16)14(18)10-22-15(19)7-8-23(20,21)12-5-3-2-4-6-12/h2-6H,7-8,10,17H2,1H3/b13-11+