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

Systemtic Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]butanoic acid Openeye Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]butanoic acid CAS Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanoic acid IUPAC Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanoic acid Traditional Name: 4-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]butyric acid Formula: C27H33NO4S MolecularWeight: 467.62022

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO4S/c1-26(2,3)18-14-17(15-19(24(18)31)27(4,5)6)16-22-25(32)28(13-9-12-23(29)30)20-10-7-8-11-21(20)33-22/h7-8,10-11,14-16,31H,9,12-13H2,1-6H3,(H,29,30)/b22-16+