8-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]octanenitrile

Systemtic Name: 8-[(2Z)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]octanenitrile Openeye Name: 8-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]octanenitrile CAS Name: 8-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]octanenitrile IUPAC Name: 8-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]octanenitrile Traditional Name: 8-[(2Z)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-thiazin-4-yl]caprylonitrile Formula: C27H38N2O2S MolecularWeight: 454.66782

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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(C=CS2)CCCCCCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(C=CS2)CCCCCCCC#N

InChI

InChI=1S/C27H38N2O2S/c1-26(2,3)21-17-20(18-22(24(21)30)27(4,5)6)19-23-25(31)29(15-16-32-23)14-12-10-8-7-9-11-13-28/h15-19,30H,7-12,14H2,1-6H3/b23-19-