6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methyl-but-2-enyl]-5-methoxy-4-methyl-7-oxidanyl-3H-2-benzofuran-1-one

Systemtic Name: 6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methyl-but-2-enyl]-5-methoxy-4-methyl-7-oxidanyl-3H-2-benzofuran-1-one Openeye Name: 6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methyl-but-2-enyl]-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one CAS Name: 6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methylbut-2-enyl]-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one IUPAC Name: 6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methylbut-2-enyl]-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-one Traditional Name: 6-[(E)-4-(2-diethoxyphosphorylethylsulfamoylamino)-3-methyl-but-2-enyl]-7-hydroxy-5-methoxy-4-methyl-phthalide Formula: C21H33N2O9PS MolecularWeight: 520.533481

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCNS(=O)(=O)NCC(=CCC1=C(C2=C(COC2=O)C(=C1OC)C)O)C)OCC

Isomeric SMILES

CCOP(=O)(CCNS(=O)(=O)NC/C(=C/CC1=C(C2=C(COC2=O)C(=C1OC)C)O)/C)OCC

InChI

InChI=1S/C21H33N2O9PS/c1-6-31-33(26,32-7-2)11-10-22-34(27,28)23-12-14(3)8-9-16-19(24)18-17(13-30-21(18)25)15(4)20(16)29-5/h8,22-24H,6-7,9-13H2,1-5H3/b14-8+