1,3-benzothiazol-2-ylmethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O6S2/c25-22(30-15-21-24-17-6-3-4-7-20(17)31-21)8-2-1-5-11-23-32(26,27)16-9-10-18-19(14-16)29-13-12-28-18/h3-4,6-7,9-10,14,23H,1-2,5,8,11-13,15H2