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

Systemtic Name: pyridin-2-ylmethyl 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]hexanoate Openeye Name: 2-pyridylmethyl 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-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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-pyridylmethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H21N3O4S/c23-18(26-14-15-8-5-7-12-20-15)11-2-1-6-13-21-19-16-9-3-4-10-17(16)27(24,25)22-19/h3-5,7-10,12H,1-2,6,11,13-14H2,(H,21,22)