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

Systemtic Name: ethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]heptanoate Openeye Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)heptanoate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)heptanoate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)enanthic acid ethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-3-5-6-10-13(16(19)22-4-2)17-15(18)12-9-7-8-11-14(12)23(17,20)21/h7-9,11,13H,3-6,10H2,1-2H3