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

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methylsulfinyl-2-propyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfinyl-2-propyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfinyl-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfinyl-2-propylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methylsulfinyl-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S(=O)C

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)S(=O)C

InChI

InChI=1S/C18H21ClN2O5S/c1-4-6-15-20-17(27(3)23)16(18(22)24-5-2)21(15)9-11-7-13-14(8-12(11)19)26-10-25-13/h7-8H,4-6,9-10H2,1-3H3