(2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-oxidanyl-phenyl]methylidene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one

Systemtic Name: (2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-oxidanyl-phenyl]methylidene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one Openeye Name: (2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-phenyl]methylene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one CAS Name: (2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]methylidene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one IUPAC Name: (2E)-2-[[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxyphenyl]methylidene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one Traditional Name: (2E)-2-[3-tert-butyl-5-(dimethylaminomethyl)-4-hydroxy-benzylidene]-4-(diethoxyphosphorylmethyl)-1,4-benzothiazin-3-one Formula: C27H37N2O5PS MolecularWeight: 532.631841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CN1C2=CC=CC=C2SC(=CC3=CC(=C(C(=C3)C(C)(C)C)O)CN(C)C)C1=O)OCC

Isomeric SMILES

CCOP(=O)(CN1C2=CC=CC=C2S/C(=C/C3=CC(=C(C(=C3)C(C)(C)C)O)CN(C)C)/C1=O)OCC

InChI

InChI=1S/C27H37N2O5PS/c1-8-33-35(32,34-9-2)18-29-22-12-10-11-13-23(22)36-24(26(29)31)16-19-14-20(17-28(6)7)25(30)21(15-19)27(3,4)5/h10-16,30H,8-9,17-18H2,1-7H3/b24-16+