2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethanoate Openeye Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-acetate CAS Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoacetate IUPAC Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetate Traditional Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-acetate Formula: C14H10N3O3S- MolecularWeight: 300.3125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)SN=N3)C)C(=O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)SN=N3)C)C(=O)C(=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-7-5-10(13(18)14(19)20)8(2)17(7)9-3-4-12-11(6-9)15-16-21-12/h3-6H,1-2H3,(H,19,20)/p-1