(2-oxidanylidene-2-propan-2-yloxy-ethyl) 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexanoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)OC(=O)COC(=O)CCCCCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C18H24N2O6S/c1-13(2)26-17(22)12-25-16(21)10-4-3-7-11-19-18-14-8-5-6-9-15(14)27(23,24)20-18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,19,20)