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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-(4-methylphenyl)-5-oxidanyl-furan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(p-tolyl)furan-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylphenyl)-2-furanone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-methylphenyl)furan-2-one Traditional Name: 5-hydroxy-3-piazthiol-5-yl-4-piperonyl-5-(p-tolyl)furan-2-one Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

CC1=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/C25H18N2O5S/c1-14-2-6-17(7-3-14)25(29)18(10-15-4-9-21-22(11-15)31-13-30-21)23(24(28)32-25)16-5-8-19-20(12-16)27-33-26-19/h2-9,11-12,29H,10,13H2,1H3