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

Systemtic Name: ethyl 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]imidazole-4-carboxylic acid ethyl ester Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)SC4=CC=C(C=C4)OC)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)SC4=CC=C(C=C4)OC)C(=O)OCC

InChI

InChI=1S/C25H27ClN2O5S/c1-4-6-7-22-27-23(25(29)31-5-2)24(34-18-10-8-17(30-3)9-11-18)28(22)14-16-12-20-21(13-19(16)26)33-15-32-20/h8-13H,4-7,14-15H2,1-3H3