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

Systemtic Name: [1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl pentanoate Openeye Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pentanoate CAS Name: pentanoic acid (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl ester IUPAC Name: (1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl pentanoate Traditional Name: valeric acid (1,1,3-triketo-1,2-benzothiazol-2-yl)methyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCC(=O)OCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H15NO5S/c1-2-3-8-12(15)19-9-14-13(16)10-6-4-5-7-11(10)20(14,17)18/h4-7H,2-3,8-9H2,1H3