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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H22O5S/c1-3-15-4-9-19-17(13-23(26)28-21(19)12-15)14-27-22(25)11-10-20(24)16-5-7-18(29-2)8-6-16/h4-9,12-13H,3,10-11,14H2,1-2H3