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

Systemtic Name: ethyl 2-[(2E)-2-[(3,5-ditert-butyl-4-methylsulfonyloxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: ethyl 2-[(2E)-2-[(3,5-ditert-butyl-4-methylsulfonyloxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[(2E)-2-[(3,5-ditert-butyl-4-methylsulfonyloxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2E)-2-[(3,5-ditert-butyl-4-methylsulfonyloxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-[(2E)-2-(3,5-ditert-butyl-4-methylsulfonyloxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]acetic acid ethyl ester Formula: C28H35NO6S2 MolecularWeight: 545.7106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H35NO6S2/c1-9-34-24(30)17-29-21-12-10-11-13-22(21)36-23(26(29)31)16-18-14-19(27(2,3)4)25(35-37(8,32)33)20(15-18)28(5,6)7/h10-16H,9,17H2,1-8H3/b23-16+