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

Systemtic Name: N-(4-diethoxyphosphorylphenyl)-7-methyl-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: N-(4-diethoxyphosphorylphenyl)-7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: N-(4-diethoxyphosphorylphenyl)-7-methyl-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: N-(4-diethoxyphosphorylphenyl)-7-methyl-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: N-(4-diethoxyphosphorylphenyl)-5-keto-7-methyl-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C22H26NO5PS MolecularWeight: 447.484301

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)CS2)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)CS2)OCC

InChI

InChI=1S/C22H26NO5PS/c1-4-27-29(26,28-5-2)18-10-8-17(9-11-18)23-22(25)21-13-16-7-6-15(3)12-19(16)20(24)14-30-21/h6-12,21H,4-5,13-14H2,1-3H3,(H,23,25)