2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-3-methylbutanoic acid IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-3-methyl-butyric acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)OC

InChI

InChI=1S/C13H16N2O3S/c1-7(2)11(12(16)17)19-13-14-9-5-4-8(18-3)6-10(9)15-13/h4-7,11H,1-3H3,(H,14,15)(H,16,17)