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

Systemtic Name: methyl 2-[(2E)-2-[(4-acetyloxy-3,5-ditert-butyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: methyl 2-[(2E)-2-[(4-acetoxy-3,5-ditert-butyl-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[(2E)-2-[(4-acetyloxy-3,5-ditert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2E)-2-[(4-acetyloxy-3,5-ditert-butylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-[(2E)-2-(4-acetoxy-3,5-ditert-butyl-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetic acid methyl ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C=C2C(=O)N(C3=CC=CC=C3S2)CC(=O)OC)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC(=O)OC)C(C)(C)C

InChI

InChI=1S/C28H33NO5S/c1-17(30)34-25-19(27(2,3)4)13-18(14-20(25)28(5,6)7)15-23-26(32)29(16-24(31)33-8)21-11-9-10-12-22(21)35-23/h9-15H,16H2,1-8H3/b23-15+