ethyl 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]imidazole-4-carboxylate Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(p-anisylthio)imidazole-4-carboxylic acid ethyl ester Formula: C26H29ClN2O5S MolecularWeight: 517.03686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H29ClN2O5S/c1-4-6-7-23-28-25(35-15-17-8-10-19(31-3)11-9-17)24(26(30)32-5-2)29(23)14-18-12-21-22(13-20(18)27)34-16-33-21/h8-13H,4-7,14-16H2,1-3H3