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

Systemtic Name: 7-cyclohexyl-N-(4-diethoxyphosphorylphenyl)-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: 7-cyclohexyl-N-(4-diethoxyphosphorylphenyl)-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: 7-cyclohexyl-N-(4-diethoxyphosphorylphenyl)-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: 7-cyclohexyl-N-(4-diethoxyphosphorylphenyl)-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: 7-cyclohexyl-N-(4-diethoxyphosphorylphenyl)-5-keto-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C27H34NO5PS MolecularWeight: 515.601321

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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)C4CCCCC4)C(=O)CS2)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)C4CCCCC4)C(=O)CS2)OCC

InChI

InChI=1S/C27H34NO5PS/c1-3-32-34(31,33-4-2)23-14-12-22(13-15-23)28-27(30)26-17-21-11-10-20(19-8-6-5-7-9-19)16-24(21)25(29)18-35-26/h10-16,19,26H,3-9,17-18H2,1-2H3,(H,28,30)