[(2R,3S)-3-cyano-2,3-dimethyl-2H-1-benzofuran-4-yl] ethanoate

Systemtic Name: [(2R,3S)-3-cyano-2,3-dimethyl-2H-1-benzofuran-4-yl] ethanoate Openeye Name: [(2R,3S)-3-cyano-2,3-dimethyl-2H-benzofuran-4-yl] acetate CAS Name: acetic acid [(2R,3S)-3-cyano-2,3-dimethyl-2H-benzofuran-4-yl] ester IUPAC Name: [(2R,3S)-3-cyano-2,3-dimethyl-2H-1-benzofuran-4-yl] acetate Traditional Name: acetic acid [(2R,3S)-3-cyano-2,3-dimethyl-coumaran-4-yl] ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(O1)C=CC=C2OC(=O)C)(C)C#N

Isomeric SMILES

C[C@@H]1[C@](C2=C(O1)C=CC=C2OC(=O)C)(C)C#N

InChI

InChI=1S/C13H13NO3/c1-8-13(3,7-14)12-10(16-8)5-4-6-11(12)17-9(2)15/h4-6,8H,1-3H3/t8-,13+/m1/s1