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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(2-chlorophenyl)sulfanylpropanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(2-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(2-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-(2-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(2-chlorophenyl)thio]propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCSC1=CC=CC=C1Cl)/N

InChI

InChI=1S/C15H15ClN2O3S/c1-10(18)11(8-17)13(19)9-21-15(20)6-7-22-14-5-3-2-4-12(14)16/h2-5H,6-7,9,18H2,1H3/b11-10+