(1R)-N-(4-diethoxyphosphorylphenyl)-6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxamide

Systemtic Name: (1R)-N-(4-diethoxyphosphorylphenyl)-6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: (1R)-N-(4-diethoxyphosphorylphenyl)-6,7-dimethyl-4-oxo-isothiochromane-1-carboxamide CAS Name: (1R)-N-(4-diethoxyphosphorylphenyl)-6,7-dimethyl-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: (1R)-N-(4-diethoxyphosphorylphenyl)-6,7-dimethyl-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: (1R)-N-(4-diethoxyphosphorylphenyl)-4-keto-6,7-dimethyl-isothiochroman-1-carboxamide Formula: C22H26NO5PS MolecularWeight: 447.484301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)NC(=O)C2C3=CC(=C(C=C3C(=O)CS2)C)C)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)NC(=O)[C@H]2C3=CC(=C(C=C3C(=O)CS2)C)C)OCC

InChI

InChI=1S/C22H26NO5PS/c1-5-27-29(26,28-6-2)17-9-7-16(8-10-17)23-22(25)21-19-12-15(4)14(3)11-18(19)20(24)13-30-21/h7-12,21H,5-6,13H2,1-4H3,(H,23,25)/t21-/m1/s1