8-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]octanoic acid

Systemtic Name: 8-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]octanoic acid Openeye Name: 8-[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]octanoic acid CAS Name: 8-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]octanoic acid IUPAC Name: 8-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]octanoic acid Traditional Name: 8-[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]caprylic acid Formula: C27H35NO4S MolecularWeight: 469.6361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO4S/c1-2-3-17-24-26(31)28(19-11-6-4-5-10-18-25(29)30)27(33-24)21-13-12-16-23(20-21)32-22-14-8-7-9-15-22/h7-9,12-16,20,24,27H,2-6,10-11,17-19H2,1H3,(H,29,30)