[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic 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)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CSCC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSCC1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C15H15ClN2O3S/c1-10(18)13(6-17)14(19)7-21-15(20)9-22-8-11-2-4-12(16)5-3-11/h2-5H,7-9,18H2,1H3/b13-10+