4-[[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]methyl]benzoic acid IUPAC Name: 4-[[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]methyl]benzoic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H27NO4S/c1-2-3-12-24-25(29)28(18-19-13-15-20(16-14-19)27(30)31)26(33-24)21-8-7-11-23(17-21)32-22-9-5-4-6-10-22/h4-11,13-17,24,26H,2-3,12,18H2,1H3,(H,30,31)