2-[2-[(2-methoxy-5-methoxycarbonyl-phenyl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(2-methoxy-5-methoxycarbonyl-phenyl)methylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(2-methoxy-5-methoxycarbonyl-phenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[(2-methoxy-5-methoxycarbonylphenyl)methylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[(2-methoxy-5-methoxycarbonylphenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[(5-carbomethoxy-2-methoxy-benzyl)thio]benzimidazol-1-yl]acetic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-25-16-8-7-12(18(24)26-2)9-13(16)11-27-19-20-14-5-3-4-6-15(14)21(19)10-17(22)23/h3-9H,10-11H2,1-2H3,(H,22,23)