[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H18N2O5/c1-4-23-12-5-6-16-13(7-12)10(2)17(25-16)18(22)24-9-15(21)14(8-19)11(3)20/h5-7,14,20H,4,9H2,1-3H3/t14-/m0/s1