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

Systemtic Name: methyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-imidazole-4-carboxylate Openeye Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylthio]-2-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-methyl-5-(p-anisylthio)imidazole-4-carboxylic acid methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SCC4=CC=C(C=C4)OC

InChI

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