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

Systemtic Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoacetic acid IUPAC Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-acetic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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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)