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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H18O6S/c1-28-16-5-2-13(3-6-16)18(23)8-9-20(24)26-12-14-10-21(25)27-19-11-15(22)4-7-17(14)19/h2-7,10-11,22H,8-9,12H2,1H3