(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H20O5S MolecularWeight: 432.4883

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C25H20O5S/c1-31-19-9-6-17(7-10-19)21(26)11-13-23(27)29-15-18-14-24(28)30-22-12-8-16-4-2-3-5-20(16)25(18)22/h2-10,12,14H,11,13,15H2,1H3