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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic 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)CCSC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCSC1=CC=C(C=C1)Cl)/N

InChI

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