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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propan-2-yl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-isopropyl-5-(4-methoxyphenyl)sulfanyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-propan-2-yl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-propan-2-ylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-isopropyl-5-[(4-methoxyphenyl)thio]imidazole-4-carboxylic acid Formula: C22H21ClN2O5S MolecularWeight: 460.93054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21ClN2O5S/c1-12(2)20-24-21(31-15-6-4-14(28-3)5-7-15)19(22(26)27)25(20)10-13-8-17-18(9-16(13)23)30-11-29-17/h4-9,12H,10-11H2,1-3H3,(H,26,27)