3-[5-[(E)-2-cyano-3-oxidanylidene-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(E)-2-cyano-3-oxidanylidene-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(E)-2-cyano-3-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-2-cyano-3-oxo-3-[[(2S)-2-oxolanyl]methylamino]prop-1-enyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(E)-2-cyano-3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]prop-1-enyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-2-cyano-3-keto-3-[[(2S)-tetrahydrofuran-2-yl]methylamino]prop-1-enyl]-2-furyl]benzoate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])C#N

Isomeric SMILES

C1C[C@H](OC1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C20H18N2O5/c21-11-15(19(23)22-12-17-5-2-8-26-17)10-16-6-7-18(27-16)13-3-1-4-14(9-13)20(24)25/h1,3-4,6-7,9-10,17H,2,5,8,12H2,(H,22,23)(H,24,25)/p-1/b15-10+/t17-/m0/s1