4-[2-butyl-5-carboxyoxy-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazol-4-yl]sulfanylbutanoic acid

Systemtic Name: 4-[2-butyl-5-carboxyoxy-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]imidazol-4-yl]sulfanylbutanoic acid Openeye Name: 4-[2-butyl-5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazol-4-yl]sulfanylbutanoic acid CAS Name: 4-[[2-butyl-5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-imidazolyl]thio]butanoic acid IUPAC Name: 4-[2-butyl-5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazol-4-yl]sulfanylbutanoic acid Traditional Name: 4-[[2-butyl-5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]imidazol-4-yl]thio]butyric acid Formula: C20H23ClN2O7S MolecularWeight: 470.92382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C20H23ClN2O7S/c1-2-3-5-16-22-18(31-7-4-6-17(24)25)19(30-20(26)27)23(16)10-12-8-14-15(9-13(12)21)29-11-28-14/h8-9H,2-7,10-11H2,1H3,(H,24,25)(H,26,27)