3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanoic acid CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-methylpropanoic acid IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-methyl-propionic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C)C(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-3-18-9-4-5-10-11(6-9)15-13(14-10)19-7-8(2)12(16)17/h4-6,8H,3,7H2,1-2H3,(H,14,15)(H,16,17)