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

Systemtic Name: 4-[5-carboxyoxy-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]sulfanylbutanoic acid Openeye Name: 4-[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]sulfanylbutanoic acid CAS Name: 4-[[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-4-imidazolyl]thio]butanoic acid IUPAC Name: 4-[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazol-4-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]thio]butyric acid Formula: C19H21ClN2O7S MolecularWeight: 456.89724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCC(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C19H21ClN2O7S/c1-2-4-15-21-17(30-6-3-5-16(23)24)18(29-19(25)26)22(15)9-11-7-13-14(8-12(11)20)28-10-27-13/h7-8H,2-6,9-10H2,1H3,(H,23,24)(H,25,26)