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

Systemtic Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethoxy-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethoxy-4-oxo-isothiochromane-1-carboxamide CAS Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethoxy-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-6,7-dimethoxy-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: (1R)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-keto-6,7-dimethoxy-isothiochroman-1-carboxamide Formula: C23H28NO7PS MolecularWeight: 493.509681

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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)OC)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO7PS/c1-5-30-32(27,31-6-2)13-15-7-9-16(10-8-15)24-23(26)22-18-12-21(29-4)20(28-3)11-17(18)19(25)14-33-22/h7-12,22H,5-6,13-14H2,1-4H3,(H,24,26)/t22-/m1/s1