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

Systemtic Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3H-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3H-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3H-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3H-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3H-1,4-benzothiazin-4-yl]acetic acid Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2CN(C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3S/c1-24(2,3)18-12-16(13-19(23(18)29)25(4,5)6)11-17-14-26(15-22(27)28)20-9-7-8-10-21(20)30-17/h7-13,29H,14-15H2,1-6H3,(H,27,28)/b17-11+