ethyl 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-oxidanyl-5-oxidanylidene-2-phenyl-furan-3-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-oxidanyl-5-oxidanylidene-2-phenyl-furan-3-yl]methyl]benzoate Openeye Name: ethyl 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-phenyl-3-furyl]methyl]benzoate CAS Name: 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-phenyl-3-furanyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,1,3-benzothiadiazol-5-yl)-2-hydroxy-5-oxo-2-phenylfuran-3-yl]methyl]benzoate Traditional Name: 4-[(2-hydroxy-5-keto-2-phenyl-4-piazthiol-5-yl-3-furyl)methyl]benzoic acid ethyl ester Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O5S/c1-2-32-24(29)17-10-8-16(9-11-17)14-20-23(18-12-13-21-22(15-18)28-34-27-21)25(30)33-26(20,31)19-6-4-3-5-7-19/h3-13,15,31H,2,14H2,1H3