3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid

Systemtic Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid Openeye Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]propanoic acid CAS Name: 3-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]propanoic acid IUPAC Name: 3-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]propanoic acid Traditional Name: 3-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]propionic acid Formula: C16H19ClN2O2S MolecularWeight: 338.85226

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(=O)O

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CCC(=O)O

InChI

InChI=1S/C16H19ClN2O2S/c1-2-9-22-16-18-10-13(7-8-15(20)21)19(16)11-12-5-3-4-6-14(12)17/h3-6,10H,2,7-9,11H2,1H3,(H,20,21)