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

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-3-methylbutanoic acid IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-3-methyl-butyric acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-4-19-9-5-6-10-11(7-9)16-14(15-10)20-12(8(2)3)13(17)18/h5-8,12H,4H2,1-3H3,(H,15,16)(H,17,18)