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

Systemtic Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]octanenitrile Openeye Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]octanenitrile CAS Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanenitrile IUPAC Name: 8-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]octanenitrile Traditional Name: 8-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]caprylonitrile Formula: C31H40N2O2S MolecularWeight: 504.7265

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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)CCCCCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O2S/c1-30(2,3)23-19-22(20-24(28(23)34)31(4,5)6)21-27-29(35)33(18-14-10-8-7-9-13-17-32)25-15-11-12-16-26(25)36-27/h11-12,15-16,19-21,34H,7-10,13-14,18H2,1-6H3/b27-21+