N-(2-diethoxyphosphorylphenyl)-6-methyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide

Systemtic Name: N-(2-diethoxyphosphorylphenyl)-6-methyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide Openeye Name: N-(2-diethoxyphosphorylphenyl)-6-methyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide CAS Name: N-(2-diethoxyphosphorylphenyl)-6-methyl-2,2,4-trioxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: N-(2-diethoxyphosphorylphenyl)-6-methyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide Traditional Name: N-(2-diethoxyphosphorylphenyl)-2,2,4-triketo-6-methyl-1H-isothiochromene-1-carboxamide Formula: C21H24NO7PS MolecularWeight: 465.456521

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1NC(=O)C2C3=C(C=C(C=C3)C)C(=O)CS2(=O)=O)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1NC(=O)C2C3=C(C=C(C=C3)C)C(=O)CS2(=O)=O)OCC

InChI

InChI=1S/C21H24NO7PS/c1-4-28-30(25,29-5-2)19-9-7-6-8-17(19)22-21(24)20-15-11-10-14(3)12-16(15)18(23)13-31(20,26)27/h6-12,20H,4-5,13H2,1-3H3,(H,22,24)