ethyl (2S)-2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate

Systemtic Name: ethyl (2S)-2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl]oxy]propanoate Openeye Name: ethyl (2S)-2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl]oxypropanoate CAS Name: (2S)-2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl]oxy]propanoate Traditional Name: (2S)-2-[(2Z)-3-keto-2-piperonylidene-coumaran-6-yl]oxypropionic acid ethyl ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC4=C(C=C3)OCO4)O2

Isomeric SMILES

CCOC(=O)[C@H](C)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/O2

InChI

InChI=1S/C21H18O7/c1-3-24-21(23)12(2)27-14-5-6-15-17(10-14)28-19(20(15)22)9-13-4-7-16-18(8-13)26-11-25-16/h4-10,12H,3,11H2,1-2H3/b19-9-/t12-/m0/s1