(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H23N3O7S2/c25-20(30-13-19-23-21(24-31-19)15-7-11-32-14-15)4-2-1-3-8-22-33(26,27)16-5-6-17-18(12-16)29-10-9-28-17/h5-7,11-12,14,22H,1-4,8-10,13H2