S-pentyl 1,1,3-tris(oxidanylidene)-1,2-benzothiazole-2-carbothioate

Systemtic Name: S-pentyl 1,1,3-tris(oxidanylidene)-1,2-benzothiazole-2-carbothioate Openeye Name: S-pentyl 1,1,3-trioxo-1,2-benzothiazole-2-carbothioate CAS Name: 1,1,3-trioxo-1,2-benzothiazole-2-carbothioic acid S-pentyl ester IUPAC Name: S-pentyl 1,1,3-trioxo-1,2-benzothiazole-2-carbothioate Traditional Name: 1,1,3-triketo-1,2-benzothiazole-2-carbothioic acid S-amyl ester Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CCCCCSC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H15NO4S2/c1-2-3-6-9-19-13(16)14-12(15)10-7-4-5-8-11(10)20(14,17)18/h4-5,7-8H,2-3,6,9H2,1H3