1-(1,3-benzothiazol-2-yl)-5-methoxy-pentane-1,3-dione

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-methoxy-pentane-1,3-dione Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-methoxy-pentane-1,3-dione CAS Name: 1-(1,3-benzothiazol-2-yl)-5-methoxypentane-1,3-dione IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-methoxypentane-1,3-dione Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-methoxy-pentane-1,3-dione Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)CC(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

COCCC(=O)CC(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13NO3S/c1-17-7-6-9(15)8-11(16)13-14-10-4-2-3-5-12(10)18-13/h2-5H,6-8H2,1H3