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

Systemtic Name: 3-oxidanylidenebutan-2-yl 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: (1-methyl-2-oxo-propyl) 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 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 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-keto-1-methyl-propyl) ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-12(20)13(2)24-16(21)10-4-3-7-11-18-17-14-8-5-6-9-15(14)25(22,23)19-17/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,18,19)