ethyl 2-[(2E)-2-[(4-acetyloxy-3-tert-butyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate

Systemtic Name: ethyl 2-[(2E)-2-[(4-acetyloxy-3-tert-butyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2E)-2-[(4-acetoxy-3-tert-butyl-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[(2E)-2-[(4-acetyloxy-3-tert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2E)-2-[(4-acetyloxy-3-tert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-[(2E)-2-(4-acetoxy-3-tert-butyl-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetic acid ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5S/c1-6-30-23(28)15-26-19-9-7-8-10-21(19)32-22(24(26)29)14-17-11-12-20(31-16(2)27)18(13-17)25(3,4)5/h7-14H,6,15H2,1-5H3/b22-14+