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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2S/C(=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)/C1=O

InChI

InChI=1S/C27H33NO4S/c1-8-32-23(29)16-28-20-11-9-10-12-21(20)33-22(25(28)31)15-17-13-18(26(2,3)4)24(30)19(14-17)27(5,6)7/h9-15,30H,8,16H2,1-7H3/b22-15+