2-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]ethanoate

Systemtic Name: 2-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]ethanoate Openeye Name: 2-[4-(5-methoxy-2-sulfanyl-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]acetate CAS Name: 2-[4-[(2-mercapto-5-methoxy-2-benzimidazolyl)sulfonyl]-3,5-dimethylphenoxy]acetate IUPAC Name: 2-[4-(5-methoxy-2-sulfanylbenzimidazol-2-yl)sulfonyl-3,5-dimethylphenoxy]acetate Traditional Name: 2-[4-(2-mercapto-5-methoxy-benzimidazol-2-yl)sulfonyl-3,5-dimethyl-phenoxy]acetate Formula: C18H17N2O6S2- MolecularWeight: 421.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C2(N=C3C=CC(=CC3=N2)OC)S)C)OCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C2(N=C3C=CC(=CC3=N2)OC)S)C)OCC(=O)[O-]

InChI

InChI=1S/C18H18N2O6S2/c1-10-6-13(26-9-16(21)22)7-11(2)17(10)28(23,24)18(27)19-14-5-4-12(25-3)8-15(14)20-18/h4-8,27H,9H2,1-3H3,(H,21,22)/p-1