6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,5-trioxepane-2,4-dione

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,5-trioxepane-2,4-dione Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,5-trioxepane-2,4-dione CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-1,3,5-trioxepane-2,4-dione IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,5-trioxepane-2,4-dione Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-1,3,5-trioxepane-2,4-quinone Formula: C12H9NO5S2 MolecularWeight: 311.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)OC(=O)O1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C(OC(=O)OC(=O)O1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H9NO5S2/c14-11-16-5-7(17-12(15)18-11)6-19-10-13-8-3-1-2-4-9(8)20-10/h1-4,7H,5-6H2