(2E)-7-chloranyl-4-methoxy-2-(5-methoxy-1-methylsulfanyl-3-oxidanylidene-hexylidene)-1-benzofuran-3-one

Systemtic Name: (2E)-7-chloranyl-4-methoxy-2-(5-methoxy-1-methylsulfanyl-3-oxidanylidene-hexylidene)-1-benzofuran-3-one Openeye Name: (2E)-7-chloro-4-methoxy-2-(5-methoxy-1-methylsulfanyl-3-oxo-hexylidene)benzofuran-3-one CAS Name: (2E)-7-chloro-4-methoxy-2-[5-methoxy-1-(methylthio)-3-oxohexylidene]-3-benzofuranone IUPAC Name: (2E)-7-chloro-4-methoxy-2-(5-methoxy-1-methylsulfanyl-3-oxohexylidene)-1-benzofuran-3-one Traditional Name: (2E)-7-chloro-2-[3-keto-5-methoxy-1-(methylthio)hexylidene]-4-methoxy-coumaran-3-one Formula: C17H19ClO5S MolecularWeight: 370.84776

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CC(=C1C(=O)C2=C(C=CC(=C2O1)Cl)OC)SC)OC

Isomeric SMILES

CC(CC(=O)C/C(=C\1/C(=O)C2=C(C=CC(=C2O1)Cl)OC)/SC)OC

InChI

InChI=1S/C17H19ClO5S/c1-9(21-2)7-10(19)8-13(24-4)17-15(20)14-12(22-3)6-5-11(18)16(14)23-17/h5-6,9H,7-8H2,1-4H3/b17-13+