[(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate

Systemtic Name: [(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] thiophene-2-carboxylate Openeye Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C22H13ClO6S MolecularWeight: 440.85302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)Cl)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CS5)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)Cl)/C=C\3/C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=CS5)OCO1

InChI

InChI=1S/C22H13ClO6S/c23-14-6-12(21-13(7-14)10-26-11-27-21)8-18-20(24)16-4-3-15(9-17(16)29-18)28-22(25)19-2-1-5-30-19/h1-9H,10-11H2/b18-8-