3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-imidazole-4-carboxylic acid Formula: C20H17ClN2O5S MolecularWeight: 432.87738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17ClN2O5S/c1-11-22-19(29-14-5-3-13(26-2)4-6-14)18(20(24)25)23(11)9-12-7-16-17(8-15(12)21)28-10-27-16/h3-8H,9-10H2,1-2H3,(H,24,25)