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

Systemtic Name: ethyl 4-[(2E)-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]butanoate Openeye Name: ethyl 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]butanoate CAS Name: 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]butanoate Traditional Name: 4-[(2E)-2-(3,5-ditert-butyl-4-hydroxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]butyric acid ethyl ester Formula: C29H37NO4S MolecularWeight: 495.67338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=CC=CC=C2SC(=CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C1=O

Isomeric SMILES

CCOC(=O)CCCN1C2=CC=CC=C2S/C(=C/C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)/C1=O

InChI

InChI=1S/C29H37NO4S/c1-8-34-25(31)14-11-15-30-22-12-9-10-13-23(22)35-24(27(30)33)18-19-16-20(28(2,3)4)26(32)21(17-19)29(5,6)7/h9-10,12-13,16-18,32H,8,11,14-15H2,1-7H3/b24-18+