2-[(2E)-2-[(3-tert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile

Systemtic Name: 2-[(2E)-2-[(3-tert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanenitrile Openeye Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile CAS Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile IUPAC Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetonitrile Traditional Name: 2-[(2E)-2-(3-tert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C=C2C(=O)N(C3=CC=CC=C3S2)CC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-21(2,3)15-12-14(8-9-17(15)24)13-19-20(25)23(11-10-22)16-6-4-5-7-18(16)26-19/h4-9,12-13,24H,11H2,1-3H3/b19-13+