N-[2-(diethoxyphosphorylmethyl)phenyl]-7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide

Systemtic Name: N-[2-(diethoxyphosphorylmethyl)phenyl]-7,8-dimethoxy-5-oxidanylidene-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: N-[2-(diethoxyphosphorylmethyl)phenyl]-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: N-[2-(diethoxyphosphorylmethyl)phenyl]-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: N-[2-(diethoxyphosphorylmethyl)phenyl]-7,8-dimethoxy-5-oxo-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: N-[2-(diethoxyphosphorylmethyl)phenyl]-5-keto-7,8-dimethoxy-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C24H30NO7PS MolecularWeight: 507.536261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=CC=C1NC(=O)C2CC3=CC(=C(C=C3C(=O)CS2)OC)OC)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=CC=C1NC(=O)C2CC3=CC(=C(C=C3C(=O)CS2)OC)OC)OCC

InChI

InChI=1S/C24H30NO7PS/c1-5-31-33(28,32-6-2)14-16-9-7-8-10-19(16)25-24(27)23-12-17-11-21(29-3)22(30-4)13-18(17)20(26)15-34-23/h7-11,13,23H,5-6,12,14-15H2,1-4H3,(H,25,27)