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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-(4-methylsulfanylphenyl)-5-oxidanyl-furan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-[4-(methylthio)phenyl]-2-furanone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylsulfanylphenyl)furan-2-one Traditional Name: 5-hydroxy-5-[4-(methylthio)phenyl]-3-piazthiol-5-yl-4-piperonyl-furan-2-one Formula: C25H18N2O5S2 MolecularWeight: 490.55082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6)O

InChI

InChI=1S/C25H18N2O5S2/c1-33-17-6-4-16(5-7-17)25(29)18(10-14-2-9-21-22(11-14)31-13-30-21)23(24(28)32-25)15-3-8-19-20(12-15)27-34-26-19/h2-9,11-12,29H,10,13H2,1H3