[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-enoate CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propenoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoate Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acrylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)OCC(=O)C(C#N)C(=N)C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)OCC(=O)[C@@H](C#N)C(=N)C)O[C@H](C2)C

InChI

InChI=1S/C20H22N2O5/c1-4-25-18-9-15-7-12(2)27-19(15)8-14(18)5-6-20(24)26-11-17(23)16(10-21)13(3)22/h5-6,8-9,12,16,22H,4,7,11H2,1-3H3/b6-5+,22-13?/t12-,16-/m0/s1