[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C22H28N2O7S2/c25-21(23-11-9-17-5-4-14-32-17)16-31-22(26)6-2-1-3-10-24-33(27,28)18-7-8-19-20(15-18)30-13-12-29-19/h4-5,7-8,14-15,24H,1-3,6,9-13,16H2,(H,23,25)