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

Systemtic Name: 3-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]propanoic acid CAS Name: 3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]propionic acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-2-3-12-19-21(26)23(14-13-20(24)25)22(28-19)16-8-7-11-18(15-16)27-17-9-5-4-6-10-17/h4-11,15,19,22H,2-3,12-14H2,1H3,(H,24,25)