1,3-benzothiazol-2-ylmethyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN(CC(=O)OCC1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H20N2O6S2/c1-22(12-20(23)28-13-19-21-15-5-2-3-6-18(15)29-19)30(24,25)14-7-8-16-17(11-14)27-10-4-9-26-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3