ethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]octanoate

Systemtic Name: ethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]octanoate Openeye Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)octanoate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)octanoic acid ethyl ester IUPAC Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)octanoate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)caprylic acid ethyl ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C17H23NO5S/c1-3-5-6-7-11-14(17(20)23-4-2)18-16(19)13-10-8-9-12-15(13)24(18,21)22/h8-10,12,14H,3-7,11H2,1-2H3