[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C24H31NO7S MolecularWeight: 477.57044

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C24H31NO7S/c26-22(24-12-16-8-17(13-24)10-18(9-16)14-24)15-32-23(27)4-5-25-33(28,29)19-2-3-20-21(11-19)31-7-1-6-30-20/h2-3,11,16-18,25H,1,4-10,12-15H2