3-(2,1,3-benzothiadiazol-5-yl)-4-[(3-butoxy-5-methoxy-phenyl)methyl]-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-[(3-butoxy-5-methoxy-phenyl)methyl]-5-(4-methoxyphenyl)-5-oxidanyl-furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-[(3-butoxy-5-methoxy-phenyl)methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-[(3-butoxy-5-methoxyphenyl)methyl]-5-hydroxy-5-(4-methoxyphenyl)-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-[(3-butoxy-5-methoxyphenyl)methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one Traditional Name: 4-(3-butoxy-5-methoxy-benzyl)-5-hydroxy-5-(4-methoxyphenyl)-3-piazthiol-5-yl-furan-2-one Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)OC)CC2=C(C(=O)OC2(C3=CC=C(C=C3)OC)O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)OC)CC2=C(C(=O)OC2(C3=CC=C(C=C3)OC)O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C29H28N2O6S/c1-4-5-12-36-23-14-18(13-22(17-23)35-3)15-24-27(19-6-11-25-26(16-19)31-38-30-25)28(32)37-29(24,33)20-7-9-21(34-2)10-8-20/h6-11,13-14,16-17,33H,4-5,12,15H2,1-3H3