3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)imidazole-4-carboxylic acid Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(N(C=N2)CC3=CC4=C(C=C3Cl)OCO4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(N(C=N2)CC3=CC4=C(C=C3Cl)OCO4)C(=O)O

InChI

InChI=1S/C20H17ClN2O5S/c1-26-14-4-2-12(3-5-14)9-29-19-18(20(24)25)23(10-22-19)8-13-6-16-17(7-15(13)21)28-11-27-16/h2-7,10H,8-9,11H2,1H3,(H,24,25)