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

Systemtic Name: 6-cyclohexyl-N-[2-(diethoxyphosphorylmethyl)phenyl]-4-oxidanylidene-1H-isothiochromene-1-carboxamide Openeye Name: 6-cyclohexyl-N-[2-(diethoxyphosphorylmethyl)phenyl]-4-oxo-isothiochromane-1-carboxamide CAS Name: 6-cyclohexyl-N-[2-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-2-benzothiopyran-1-carboxamide IUPAC Name: 6-cyclohexyl-N-[2-(diethoxyphosphorylmethyl)phenyl]-4-oxo-1H-isothiochromene-1-carboxamide Traditional Name: 6-cyclohexyl-N-[2-(diethoxyphosphorylmethyl)phenyl]-4-keto-isothiochroman-1-carboxamide Formula: C27H34NO5PS MolecularWeight: 515.601321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=CC=C1NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=CC=C1NC(=O)C2C3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC

InChI

InChI=1S/C27H34NO5PS/c1-3-32-34(31,33-4-2)17-21-12-8-9-13-24(21)28-27(30)26-22-15-14-20(19-10-6-5-7-11-19)16-23(22)25(29)18-35-26/h8-9,12-16,19,26H,3-7,10-11,17-18H2,1-2H3,(H,28,30)