2-[(2Z)-2-[(4-acetyloxy-3,5-dimethyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]ethylphosphonic acid

Systemtic Name: 2-[(2Z)-2-[(4-acetyloxy-3,5-dimethyl-phenyl)methylidene]-3-oxidanylidene-1,4-thiazin-4-yl]ethylphosphonic acid Openeye Name: 2-[(2Z)-2-[(4-acetoxy-3,5-dimethyl-phenyl)methylene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid CAS Name: 2-[(2Z)-2-[(4-acetyloxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid IUPAC Name: 2-[(2Z)-2-[(4-acetyloxy-3,5-dimethylphenyl)methylidene]-3-oxo-1,4-thiazin-4-yl]ethylphosphonic acid Traditional Name: 2-[(2Z)-2-(4-acetoxy-3,5-dimethyl-benzylidene)-3-keto-1,4-thiazin-4-yl]ethylphosphonic acid Formula: C17H20NO6PS MolecularWeight: 397.382561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C=C2C(=O)N(C=CS2)CCP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)/C=C\2/C(=O)N(C=CS2)CCP(=O)(O)O

InChI

InChI=1S/C17H20NO6PS/c1-11-8-14(9-12(2)16(11)24-13(3)19)10-15-17(20)18(5-7-26-15)4-6-25(21,22)23/h5,7-10H,4,6H2,1-3H3,(H2,21,22,23)/b15-10-