(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H20O6S/c1-26-16-5-8-18-15(11-22(25)28-20(18)12-16)13-27-21(24)10-9-19(23)14-3-6-17(29-2)7-4-14/h3-8,11-12H,9-10,13H2,1-2H3