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

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-keto-thiazolidin-3-yl]propionic acid Formula: C20H29NO4S MolecularWeight: 379.51356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2N(C(=O)CS2)CCC(=O)O

InChI

InChI=1S/C20H29NO4S/c1-19(2,3)13-9-12(10-14(17(13)25)20(4,5)6)18-21(8-7-16(23)24)15(22)11-26-18/h9-10,18,25H,7-8,11H2,1-6H3,(H,23,24)