4-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethyl-pentanedioic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)-2,2-dimethylpentanedioic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,2-dimethylpentanedioic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)-2,2-dimethyl-glutaric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)SC1=NC2=CC=CC=C2N1)C(=O)O

Isomeric SMILES

CC(C)(CC(C(=O)O)SC1=NC2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-14(2,12(19)20)7-10(11(17)18)21-13-15-8-5-3-4-6-9(8)16-13/h3-6,10H,7H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)