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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-oxidanyl-5-(4-propan-2-yloxyphenyl)furan-2-one Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-isopropoxyphenyl)furan-2-one CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-propan-2-yloxyphenyl)-2-furanone IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-propan-2-yloxyphenyl)furan-2-one Traditional Name: 5-hydroxy-5-(4-isopropoxyphenyl)-3-piazthiol-5-yl-4-piperonyl-furan-2-one Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC6=C(C=C5)OCO6)O

Isomeric SMILES

CC(C)OC1=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/C27H22N2O6S/c1-15(2)34-19-7-5-18(6-8-19)27(31)20(11-16-3-10-23-24(12-16)33-14-32-23)25(26(30)35-27)17-4-9-21-22(13-17)29-36-28-21/h3-10,12-13,15,31H,11,14H2,1-2H3