3-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)-5-oxidanyl-4-(phenylmethyl)furan-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)-5-oxidanyl-4-(phenylmethyl)furan-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-5-hydroxy-5-[4-(methylthio)phenyl]-4-(phenylmethyl)-2-furanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-benzyl-5-hydroxy-5-[4-(methylthio)phenyl]furan-2-one Formula: C25H20O5S MolecularWeight: 432.4883

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)O

InChI

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