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

Systemtic Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: (2R)-N-(4-diethoxyphosphorylphenyl)-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: (2R)-N-(4-diethoxyphosphorylphenyl)-5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C23H28NO7PS MolecularWeight: 493.509681

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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)OC)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO7PS/c1-5-30-32(27,31-6-2)17-9-7-16(8-10-17)24-23(26)22-12-15-11-20(28-3)21(29-4)13-18(15)19(25)14-33-22/h7-11,13,22H,5-6,12,14H2,1-4H3,(H,24,26)/t22-/m1/s1