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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-phenylsulfanylpropanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c1-11(17)13(9-16)14(18)10-20-15(19)7-8-21-12-5-3-2-4-6-12/h2-6H,7-8,10,17H2,1H3/b13-11+