4-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]butanenitrile

Systemtic Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]butanenitrile Openeye Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]butanenitrile CAS Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanenitrile IUPAC Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanenitrile Traditional Name: 4-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]butyronitrile Formula: C27H32N2O2S MolecularWeight: 448.62018

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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(C3=CC=CC=C3S2)CCCC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CCCC#N

InChI

InChI=1S/C27H32N2O2S/c1-26(2,3)19-15-18(16-20(24(19)30)27(4,5)6)17-23-25(31)29(14-10-9-13-28)21-11-7-8-12-22(21)32-23/h7-8,11-12,15-17,30H,9-10,14H2,1-6H3/b23-17+