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

Systemtic Name: (1R)-6-(cyclohexylmethyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: (1R)-6-(cyclohexylmethyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-isothiochromane-1-carboxamide CAS Name: (1R)-6-(cyclohexylmethyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: (1R)-6-(cyclohexylmethyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: (1R)-6-(cyclohexylmethyl)-N-[4-(diethoxyphosphorylmethyl)phenyl]-4-keto-isothiochroman-1-carboxamide Formula: C28H36NO5PS MolecularWeight: 529.627901

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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)CC4CCCCC4)C(=O)CS2)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2C3=C(C=C(C=C3)CC4CCCCC4)C(=O)CS2)OCC

InChI

InChI=1S/C28H36NO5PS/c1-3-33-35(32,34-4-2)18-21-10-13-23(14-11-21)29-28(31)27-24-15-12-22(16-20-8-6-5-7-9-20)17-25(24)26(30)19-36-27/h10-15,17,20,27H,3-9,16,18-19H2,1-2H3,(H,29,31)/t27-/m1/s1