(2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide

Systemtic Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: (2R)-N-(4-diethoxyphosphorylphenyl)-5-keto-7,8-dimethyl-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C23H28NO5PS MolecularWeight: 461.510881

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)NC(=O)C2CC3=CC(=C(C=C3C(=O)CS2)C)C)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC(=C(C=C3C(=O)CS2)C)C)OCC

InChI

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