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

Systemtic Name: ethyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pentanoate Openeye Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentanoate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)valeric acid ethyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-3-7-11(14(17)20-4-2)15-13(16)10-8-5-6-9-12(10)21(15,18)19/h5-6,8-9,11H,3-4,7H2,1-2H3