N-[4-(diethoxyphosphorylmethyl)phenyl]-6-methyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide

Systemtic Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-6-methyl-2,2,4-tris(oxidanylidene)-1H-isothiochromene-1-carboxamide Openeye Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-6-methyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide CAS Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-6-methyl-2,2,4-trioxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-6-methyl-2,2,4-trioxo-1H-isothiochromene-1-carboxamide Traditional Name: N-[4-(diethoxyphosphorylmethyl)phenyl]-2,2,4-triketo-6-methyl-1H-isothiochromene-1-carboxamide Formula: C22H26NO7PS MolecularWeight: 479.483101

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C)C(=O)CS2(=O)=O)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=C(C=C(C=C3)C)C(=O)CS2(=O)=O)OCC

InChI

InChI=1S/C22H26NO7PS/c1-4-29-31(26,30-5-2)13-16-7-9-17(10-8-16)23-22(25)21-18-11-6-15(3)12-19(18)20(24)14-32(21,27)28/h6-12,21H,4-5,13-14H2,1-3H3,(H,23,25)