2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-6-3-9-10(4-7(6)2)15-12(14-9)8(13(17)18)5-11(16)19/h3-4,8H,5H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)