(6-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methylsulfanyl-2-propyl-1H-imidazole-5-carboxylate

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methylsulfanyl-2-propyl-1H-imidazole-5-carboxylate Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-methylsulfanyl-2-propyl-1H-imidazole-5-carboxylate CAS Name: 4-(methylthio)-2-propyl-1H-imidazole-5-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-methylsulfanyl-2-propyl-1H-imidazole-5-carboxylate Traditional Name: 4-(methylthio)-2-propyl-1H-imidazole-5-carboxylic acid (6-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)SC

Isomeric SMILES

CCCC1=NC(=C(N1)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)SC

InChI

InChI=1S/C16H17ClN2O4S/c1-3-4-13-18-14(15(19-13)24-2)16(20)21-7-9-5-11-12(6-10(9)17)23-8-22-11/h5-6H,3-4,7-8H2,1-2H3,(H,18,19)