[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-phenylsulfanylethanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-phenylsulfanylethanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CSC1=CC=CC=C1)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)CSC1=CC=CC=C1)N

InChI

InChI=1S/C14H14N2O3S/c1-10(16)12(7-15)13(17)8-19-14(18)9-20-11-5-3-2-4-6-11/h2-6,12H,1,8-9,16H2/t12-/m1/s1