(1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxamide

Systemtic Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethyl-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethyl-4-oxo-isothiochromane-1-carboxamide CAS Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethyl-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethyl-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-keto-6,7-dimethyl-isothiochroman-1-carboxamide Formula: C23H28NO5PS MolecularWeight: 461.510881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2C3=CC(=C(C=C3C(=O)CS2)C)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2C3=CC(=C(C=C3C(=O)CS2)C)C)OCC

InChI

InChI=1S/C23H28NO5PS/c1-5-28-30(27,29-6-2)13-17-7-9-18(10-8-17)24-23(26)22-20-12-16(4)15(3)11-19(20)21(25)14-31-22/h7-12,22H,5-6,13-14H2,1-4H3,(H,24,26)/t22-/m1/s1