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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H18N2O6S2 MolecularWeight: 482.52882

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N2O6S2/c26-23(31-14-22-24-18-3-1-2-4-21(18)32-22)15-5-7-16(8-6-15)25-33(27,28)17-9-10-19-20(13-17)30-12-11-29-19/h1-10,13,25H,11-12,14H2