methyl 7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]heptanoate

Systemtic Name: methyl 7-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-thiomorpholin-4-yl]heptanoate Openeye Name: methyl 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-thiomorpholin-4-yl]heptanoate CAS Name: 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-4-thiomorpholinyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxothiomorpholin-4-yl]heptanoate Traditional Name: 7-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-thiomorpholin-4-yl]enanthic acid methyl ester Formula: C27H41NO4S MolecularWeight: 475.68374

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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)CCCCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H41NO4S/c1-26(2,3)20-16-19(17-21(24(20)30)27(4,5)6)18-22-25(31)28(14-15-33-22)13-11-9-8-10-12-23(29)32-7/h16-18,30H,8-15H2,1-7H3/b22-18-