3-(2,1,3-benzothiadiazol-5-yl)-4-[(4-nitrophenyl)methyl]-5-oxidanyl-5-(4-propan-2-yloxyphenyl)furan-2-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-[(4-nitrophenyl)methyl]-5-oxidanyl-5-(4-propan-2-yloxyphenyl)furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-5-(4-isopropoxyphenyl)-4-[(4-nitrophenyl)methyl]furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-4-[(4-nitrophenyl)methyl]-5-(4-propan-2-yloxyphenyl)-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-4-[(4-nitrophenyl)methyl]-5-(4-propan-2-yloxyphenyl)furan-2-one Traditional Name: 5-hydroxy-5-(4-isopropoxyphenyl)-4-(4-nitrobenzyl)-3-piazthiol-5-yl-furan-2-one Formula: C26H21N3O6S MolecularWeight: 503.52644

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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=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C26H21N3O6S/c1-15(2)34-20-10-6-18(7-11-20)26(31)21(13-16-3-8-19(9-4-16)29(32)33)24(25(30)35-26)17-5-12-22-23(14-17)28-36-27-22/h3-12,14-15,31H,13H2,1-2H3