[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H12F2N2O5S MolecularWeight: 358.317286

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)S(=O)(=O)C(F)F)N

Isomeric SMILES

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

InChI

InChI=1S/C14H12F2N2O5S/c1-8(18)11(6-17)12(19)7-23-13(20)9-2-4-10(5-3-9)24(21,22)14(15)16/h2-5,11,14H,1,7,18H2/t11-/m1/s1