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

Systemtic Name: methyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carboxylate Openeye Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-methoxyphenyl)sulfanyl-2-methylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)thio]-2-methyl-imidazole-4-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OC)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19ClN2O5S/c1-12-23-20(30-15-6-4-14(26-2)5-7-15)19(21(25)27-3)24(12)10-13-8-17-18(9-16(13)22)29-11-28-17/h4-9H,10-11H2,1-3H3