2-butyl-5-(carboxymethylsulfanyl)-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid

Systemtic Name: 2-butyl-5-(carboxymethylsulfanyl)-3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Openeye Name: 2-butyl-5-(carboxymethylsulfanyl)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid CAS Name: 2-butyl-5-(carboxymethylthio)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-imidazolecarboxylic acid IUPAC Name: 2-butyl-5-(carboxymethylsulfanyl)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Traditional Name: 2-butyl-5-(carboxymethylthio)-3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazole-4-carboxylic acid Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)SCC(=O)O

InChI

InChI=1S/C18H19ClN2O6S/c1-2-3-4-14-20-17(28-8-15(22)23)16(18(24)25)21(14)7-10-5-12-13(6-11(10)19)27-9-26-12/h5-6H,2-4,7-9H2,1H3,(H,22,23)(H,24,25)