2-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]ethanoic acid

Systemtic Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]ethanoic acid Openeye Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-thiomorpholin-4-yl]acetic acid CAS Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-4-thiomorpholinyl]acetic acid IUPAC Name: 2-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxothiomorpholin-4-yl]acetic acid Traditional Name: 2-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-thiomorpholin-4-yl]acetic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(CCS2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CCS2)CC(=O)O

InChI

InChI=1S/C21H29NO4S/c1-20(2,3)14-9-13(10-15(18(14)25)21(4,5)6)11-16-19(26)22(7-8-27-16)12-17(23)24/h9-11,25H,7-8,12H2,1-6H3,(H,23,24)/b16-11-