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

Systemtic Name: ethyl 2-butyl-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-cyclohexylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(cyclohexylthio)imidazole-4-carboxylic acid ethyl ester Formula: C24H31ClN2O4S MolecularWeight: 479.03194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SC4CCCCC4

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SC4CCCCC4

InChI

InChI=1S/C24H31ClN2O4S/c1-3-5-11-21-26-23(32-17-9-7-6-8-10-17)22(24(28)29-4-2)27(21)14-16-12-19-20(13-18(16)25)31-15-30-19/h12-13,17H,3-11,14-15H2,1-2H3