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

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexanoate Formula: C13H15N2O4S- MolecularWeight: 295.3342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O4S/c16-12(17)8-2-1-5-9-14-13-10-6-3-4-7-11(10)20(18,19)15-13/h3-4,6-7H,1-2,5,8-9H2,(H,14,15)(H,16,17)/p-1