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

Systemtic Name: 2-[(2E)-2-[(3-tert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[(2E)-2-[(3-tert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[(2E)-2-(3-tert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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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(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-21(2,3)14-10-13(8-9-16(14)23)11-18-20(26)22(12-19(24)25)15-6-4-5-7-17(15)27-18/h4-11,23H,12H2,1-3H3,(H,24,25)/b18-11+