[(2E)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methylphosphonic acid

Systemtic Name: [(2E)-2-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]methylphosphonic acid Openeye Name: [(2E)-2-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid CAS Name: [(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid IUPAC Name: [(2E)-2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]methylphosphonic acid Traditional Name: [(2E)-2-(4-hydroxy-3,5-dimethyl-benzylidene)-3-keto-1,4-benzothiazin-4-yl]methylphosphonic acid Formula: C18H18NO5PS MolecularWeight: 391.377981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C2C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CP(=O)(O)O

InChI

InChI=1S/C18H18NO5PS/c1-11-7-13(8-12(2)17(11)20)9-16-18(21)19(10-25(22,23)24)14-5-3-4-6-15(14)26-16/h3-9,20H,10H2,1-2H3,(H2,22,23,24)/b16-9+