(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)SC)C

InChI

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